L610-0091 Screening compound: 4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N-(3-fluoro-4-methylphenyl)benzamide

L610-0091 Screening compound: 4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N-(3-fluoro-4-methylphenyl)benzamide
L610-0091 Screening compound: 4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N-(3-fluoro-4-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L610-0091
4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N-(3-fluoro-4-methylphenyl)benzamide

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

L610-0091

Molecular Formula

C27H24FN3O3 (C27 H24 FN3 O3)

Compound Name

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

IUPAC name

4-({28-dioxo-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)1012-trien-9-yl}methyl)-N-(3-fluoro-4-methylphenyl)benzamide

SMILES

Cc(ccc(NC(c1ccc(CN(c(cccc2)c2C(N2C3CCC2)=O)C3=O)cc1)=O)c1)c1F

InChI

InChI=1S/C27H24FN3O3/c1-17-8-13-20(15-22(17)28)29-25(32)19-11-9-18(10-12-19)16-31-23-6-3-2-5-21(23)26(33)30-14-4-7-24(30)27(31)34/h2-3,5-6,8-13,15,24H,4,7,14,16H2,1H3,(H,29,32)/t24-/m0/s1

InChI Key

XNAVNXLQVRLUFB-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15132153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.622

Distribution Coefficient, logD

3.613

Water Solubility, LogSw

-3.87

Polar Surface Area

55.364

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

L610-0091 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L610-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L610-0091?
Check Price and Availability of L610-0091, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L610-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L610-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L610-0091
  • 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 L610-0091 available by request