V029-9524 Screening compound: N~2~-benzyl-5-{[2-(benzylsulfanyl)benzoyl]amino}-1-(3-methylbenzyl)-1H-indole-2-carboxamide

V029-9524 Screening compound: N~2~-benzyl-5-{[2-(benzylsulfanyl)benzoyl]amino}-1-(3-methylbenzyl)-1H-indole-2-carboxamide
V029-9524 Screening compound: N~2~-benzyl-5-{[2-(benzylsulfanyl)benzoyl]amino}-1-(3-methylbenzyl)-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9524
N~2~-benzyl-5-{[2-(benzylsulfanyl)benzoyl]amino}-1-(3-methylbenzyl)-1H-indole-2-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

V029-9524

Molecular Formula

C38H33N3O2S (C38 H33 N3 O2 S)

Compound Name

N~2~-benzyl-5-{[2-(benzylsulfanyl)benzoyl]amino}-1-(3-methylbenzyl)-1H-indole-2-carboxamide

IUPAC name

N-benzyl-5-[2-(benzylsulfanyl)benzamido]-1-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide

SMILES

Cc1cccc(Cn(c(C(NCc2ccccc2)=O)c2)c(cc3)c2cc3NC(c(cccc2)c2SCc2ccccc2)=O)c1

InChI

InChI=1S/C38H33N3O2S/c1-27-11-10-16-30(21-27)25-41-34-20-19-32(22-31(34)23-35(41)38(43)39-24-28-12-4-2-5-13-28)40-37(42)33-17-8-9-18-36(33)44-26-29-14-6-3-7-15-29/h2-23H,24-26H2,1H3,(H,39,43)(H,40,42)

InChI Key

ABEWPXMXPCXIFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19778486

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

595.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.072

Distribution Coefficient, logD

8.072

Water Solubility, LogSw

-5.98

Polar Surface Area

47.925

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

V029-9524 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-9524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9524?
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What is the minimum amount of V029-9524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9524
  • 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 V029-9524 available by request