C795-2531 Screening compound: N-benzyl-2-[4-({[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)amino]carbonyl}amino)phenyl]acetamide

C795-2531 Screening compound: N-benzyl-2-[4-({[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)amino]carbonyl}amino)phenyl]acetamide
C795-2531 Screening compound: N-benzyl-2-[4-({[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)amino]carbonyl}amino)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-2531
N-benzyl-2-[4-({[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)amino]carbonyl}amino)phenyl]acetamide

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

C795-2531

Molecular Formula

C31H30N4O2 (C31 H30 N4 O2)

Compound Name

N-benzyl-2-[4-({[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)amino]carbonyl}amino)phenyl]acetamide

IUPAC name

N-benzyl-2-(4-{[(2-benzyl-23-dihydro-1H-isoindol-5-yl)carbamoyl]amino}phenyl)acetamide

SMILES

O=C(Cc(cc1)ccc1NC(Nc1cc(CN(Cc2ccccc2)C2)c2cc1)=O)NCc1ccccc1

InChI

InChI=1S/C31H30N4O2/c36-30(32-19-24-7-3-1-4-8-24)17-23-11-14-28(15-12-23)33-31(37)34-29-16-13-26-21-35(22-27(26)18-29)20-25-9-5-2-6-10-25/h1-16,18H,17,19-22H2,(H,32,36)(H2,33,34,37)

InChI Key

LXEGELDJDUXJCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

0.490

Water Solubility, LogSw

-5.35

Polar Surface Area

60.435

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

12.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.13

C795-2531 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C795-2531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-2531?
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What is the minimum amount of C795-2531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-2531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-2531
  • 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 C795-2531 available by request