V013-7993 Screening compound: N~4~-(cyclopropylmethyl)-2-{[[2-(1H-indol-3-yl)ethyl](3-methylbenzyl)amino]methyl}-1,3-oxazole-4-carboxamide

V013-7993 Screening compound: N~4~-(cyclopropylmethyl)-2-{[[2-(1H-indol-3-yl)ethyl](3-methylbenzyl)amino]methyl}-1,3-oxazole-4-carboxamide
V013-7993 Screening compound: N~4~-(cyclopropylmethyl)-2-{[[2-(1H-indol-3-yl)ethyl](3-methylbenzyl)amino]methyl}-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7993
N~4~-(cyclopropylmethyl)-2-{[[2-(1H-indol-3-yl)ethyl](3-methylbenzyl)amino]methyl}-1,3-oxazole-4-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

V013-7993

Molecular Formula

C27H30N4O2 (C27 H30 N4 O2)

Compound Name

N~4~-(cyclopropylmethyl)-2-{[[2-(1H-indol-3-yl)ethyl](3-methylbenzyl)amino]methyl}-1,3-oxazole-4-carboxamide

IUPAC name

N-(cyclopropylmethyl)-2-({[2-(1H-indol-3-yl)ethyl][(3-methylphenyl)methyl]amino}methyl)-13-oxazole-4-carboxamide

SMILES

Cc1cccc(CN(CCc2c[nH]c3c2cccc3)Cc2nc(C(NCC3CC3)=O)co2)c1

InChI

InChI=1S/C27H30N4O2/c1-19-5-4-6-21(13-19)16-31(12-11-22-15-28-24-8-3-2-7-23(22)24)17-26-30-25(18-33-26)27(32)29-14-20-9-10-20/h2-8,13,15,18,20,28H,9-12,14,16-17H2,1H3,(H,29,32)

InChI Key

SNJADXXZHJKDKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829332

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.651

Distribution Coefficient, logD

4.651

Water Solubility, LogSw

-4.39

Polar Surface Area

56.870

Acid Dissociation Constant (pKa)

15.40

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V013-7993 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V013-7993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7993?
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What is the minimum amount of V013-7993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7993
  • 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 V013-7993 available by request