V030-5876 Screening compound: 2-({[(3-chlorophenyl)methyl](3,3-diphenylpropyl)amino}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide

V030-5876 Screening compound: 2-({[(3-chlorophenyl)methyl](3,3-diphenylpropyl)amino}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
V030-5876 Screening compound: 2-({[(3-chlorophenyl)methyl](3,3-diphenylpropyl)amino}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5876
2-({[(3-chlorophenyl)methyl](3,3-diphenylpropyl)amino}methyl)-N-[(pyridin-2-yl)methyl]-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

V030-5876

Molecular Formula

C33H31ClN4OS (C33 H31 ClN4 OS)

Compound Name

2-({[(3-chlorophenyl)methyl](3,3-diphenylpropyl)amino}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-({[(3-chlorophenyl)methyl](33-diphenylpropyl)amino}methyl)-N-[(pyridin-2-yl)methyl]-13-thiazole-4-carboxamide

SMILES

O=C(c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2cccc(Cl)c2)n1)NCc1ncccc1

InChI

InChI=1S/C33H31ClN4OS/c34-28-15-9-10-25(20-28)22-38(19-17-30(26-11-3-1-4-12-26)27-13-5-2-6-14-27)23-32-37-31(24-40-32)33(39)36-21-29-16-7-8-18-35-29/h1-16,18,20,24,30H,17,19,21-23H2,(H,36,39)

InChI Key

FJDUJIYZUQNLDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19766857

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

567.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.867

Distribution Coefficient, logD

6.867

Water Solubility, LogSw

-6.47

Polar Surface Area

47.843

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with V030-5876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5876?
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What is the minimum amount of V030-5876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5876
  • 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 V030-5876 available by request