L610-0009 Screening compound: N~1~-butyl-4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N~1~-methylbenzamide

L610-0009 Screening compound: N~1~-butyl-4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N~1~-methylbenzamide
L610-0009 Screening compound: N~1~-butyl-4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N~1~-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L610-0009
N~1~-butyl-4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N~1~-methylbenzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L610-0009

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

N~1~-butyl-4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N~1~-methylbenzamide

IUPAC name

N-butyl-4-({28-dioxo-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)1012-trien-9-yl}methyl)-N-methylbenzamide

SMILES

CCCCN(C)C(c1ccc(CN(c(cccc2)c2C(N2C3CCC2)=O)C3=O)cc1)=O

InChI

InChI=1S/C25H29N3O3/c1-3-4-15-26(2)23(29)19-13-11-18(12-14-19)17-28-21-9-6-5-8-20(21)24(30)27-16-7-10-22(27)25(28)31/h5-6,8-9,11-14,22H,3-4,7,10,15-17H2,1-2H3/t22-/m0/s1

InChI Key

VXFVVHSBFFVWDK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27465788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

2.195

Water Solubility, LogSw

-2.93

Polar Surface Area

48.673

Acid Dissociation Constant (pKa)

19.53

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

L610-0009 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Mimetics
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L610-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L610-0009?
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What is the minimum amount of L610-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L610-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L610-0009
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L610-0009 available by request