V010-0612 Screening compound: 2-({[(4-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[2-(pyridin-2-yl)ethyl]-1,3-oxazole-4-carboxamide

V010-0612 Screening compound: 2-({[(4-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[2-(pyridin-2-yl)ethyl]-1,3-oxazole-4-carboxamide
V010-0612 Screening compound: 2-({[(4-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[2-(pyridin-2-yl)ethyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0612
2-({[(4-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[2-(pyridin-2-yl)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

V010-0612

Molecular Formula

C29H28ClN5O2 (C29 H28 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1coc(CN(CCc2c[nH]c3c2cccc3)Cc(cc2)ccc2Cl)n1)NCCc1ncccc1

InChI

InChI=1S/C29H28ClN5O2/c30-23-10-8-21(9-11-23)18-35(16-13-22-17-33-26-7-2-1-6-25(22)26)19-28-34-27(20-37-28)29(36)32-15-12-24-5-3-4-14-31-24/h1-11,14,17,20,33H,12-13,15-16,18-19H2,(H,32,36)

InChI Key

PWGQLFKLHJAMRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19838828

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

514.03

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

4.294

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.61

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

20.70

V010-0612 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 V010-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0612?
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What is the minimum amount of V010-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0612
  • 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 V010-0612 available by request