V009-5003 Screening compound: 2-{[[2-(1H-indol-3-yl)ethyl](2-methylbenzyl)amino]methyl}-N-[2-(2-pyridyl)ethyl]-1,3-oxazole-4-carboxamide

V009-5003 Screening compound: 2-{[[2-(1H-indol-3-yl)ethyl](2-methylbenzyl)amino]methyl}-N-[2-(2-pyridyl)ethyl]-1,3-oxazole-4-carboxamide
V009-5003 Screening compound: 2-{[[2-(1H-indol-3-yl)ethyl](2-methylbenzyl)amino]methyl}-N-[2-(2-pyridyl)ethyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5003
2-{[[2-(1H-indol-3-yl)ethyl](2-methylbenzyl)amino]methyl}-N-[2-(2-pyridyl)ethyl]-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

V009-5003

Molecular Formula

C30H31N5O2 (C30 H31 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(CCc2c[nH]c3c2cccc3)Cc2nc(C(NCCc3ncccc3)=O)co2)cccc1

InChI

InChI=1S/C30H31N5O2/c1-22-8-2-3-9-24(22)19-35(17-14-23-18-33-27-12-5-4-11-26(23)27)20-29-34-28(21-37-29)30(36)32-16-13-25-10-6-7-15-31-25/h2-12,15,18,21,33H,13-14,16-17,19-20H2,1H3,(H,32,36)

InChI Key

CKROXGFQEKXYFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19830179

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.03

Polar Surface Area

65.732

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.33

V009-5003 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 V009-5003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5003?
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What is the minimum amount of V009-5003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5003
  • 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 V009-5003 available by request