L277-0052 Screening compound: N-(3-chlorophenyl)-4-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxamide

L277-0052 Screening compound: N-(3-chlorophenyl)-4-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxamide
L277-0052 Screening compound: N-(3-chlorophenyl)-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 L277-0052
N-(3-chlorophenyl)-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

L277-0052

Molecular Formula

C25H29ClN6O2 (C25 H29 ClN6 O2)

Compound Name

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

IUPAC name

N-(3-chlorophenyl)-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(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C25H29ClN6O2/c1-29-22-8-7-18(24(33)31-9-2-3-10-31)15-21(22)28-23(29)17-30-11-13-32(14-12-30)25(34)27-20-6-4-5-19(26)16-20/h4-8,15-16H,2-3,9-14,17H2,1H3,(H,27,34)

InChI Key

CUGXWWPBVOEHIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27239115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.818

Distribution Coefficient, logD

2.373

Water Solubility, LogSw

-3.64

Polar Surface Area

58.249

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L277-0052 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L277-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L277-0052?
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What is the minimum amount of L277-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L277-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L277-0052
  • 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 L277-0052 available by request