V013-5479 Screening compound: 2-({(4-chlorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}methyl)-N-phenethyl-1,3-thiazole-4-carboxamide

V013-5479 Screening compound: 2-({(4-chlorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}methyl)-N-phenethyl-1,3-thiazole-4-carboxamide
V013-5479 Screening compound: 2-({(4-chlorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}methyl)-N-phenethyl-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5479
2-({(4-chlorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}methyl)-N-phenethyl-1,3-thiazole-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

V013-5479

Molecular Formula

C30H29ClN4OS (C30 H29 ClN4 OS)

Compound Name

2-({(4-chlorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}methyl)-N-phenethyl-1,3-thiazole-4-carboxamide

IUPAC name

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

SMILES

O=C(c1csc(CN(CCc2c[nH]c3c2cccc3)Cc(cc2)ccc2Cl)n1)NCCc1ccccc1

InChI

InChI=1S/C30H29ClN4OS/c31-25-12-10-23(11-13-25)19-35(17-15-24-18-33-27-9-5-4-8-26(24)27)20-29-34-28(21-37-29)30(36)32-16-14-22-6-2-1-3-7-22/h1-13,18,21,33H,14-17,19-20H2,(H,32,36)

InChI Key

FLHSNKNFQKWGPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19766732

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.11

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.970

Distribution Coefficient, logD

5.970

Water Solubility, LogSw

-6.22

Polar Surface Area

48.283

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V013-5479 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 V013-5479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5479?
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What is the minimum amount of V013-5479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5479
  • 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 V013-5479 available by request