L277-0090 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxamide

L277-0090 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxamide
L277-0090 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L277-0090
N-(2H-1,3-benzodioxol-5-yl)-4-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxamide

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

L277-0090

Molecular Formula

C26H30N6O4 (C26 H30 N6 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-4-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-13-benzodiazol-2-yl]methyl}piperazine-1-carboxamide

SMILES

Cn1c(ccc(C(N2CCCC2)=O)c2)c2nc1CN(CC1)CCN1C(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C26H30N6O4/c1-29-21-6-4-18(25(33)31-8-2-3-9-31)14-20(21)28-24(29)16-30-10-12-32(13-11-30)26(34)27-19-5-7-22-23(15-19)36-17-35-22/h4-7,14-15H,2-3,8-13,16-17H2,1H3,(H,27,34)

InChI Key

ZESQJDKPQKULJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27239144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.897

Distribution Coefficient, logD

1.453

Water Solubility, LogSw

-2.78

Polar Surface Area

75.364

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

L277-0090 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L277-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L277-0090?
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What is the minimum amount of L277-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L277-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L277-0090
  • 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 L277-0090 available by request