V009-8058 Screening compound: 4-benzyl-1-[2-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carbonyl]piperidine

V009-8058 Screening compound: 4-benzyl-1-[2-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carbonyl]piperidine
V009-8058 Screening compound: 4-benzyl-1-[2-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8058
4-benzyl-1-[2-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carbonyl]piperidine

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

V009-8058

Molecular Formula

C30H29N5OS3 (C30 H29 N5 OS3)

Compound Name

4-benzyl-1-[2-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carbonyl]piperidine

IUPAC name

4-benzyl-1-[2-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-13-thiazole-4-carbonyl]piperidine

SMILES

Cc1cccc(-n2c(SCc3nc(C(N4CCC(Cc5ccccc5)CC4)=O)cs3)nnc2-c2cccs2)c1

InChI

InChI=1S/C30H29N5OS3/c1-21-7-5-10-24(17-21)35-28(26-11-6-16-37-26)32-33-30(35)39-20-27-31-25(19-38-27)29(36)34-14-12-23(13-15-34)18-22-8-3-2-4-9-22/h2-11,16-17,19,23H,12-15,18,20H2,1H3

InChI Key

KSPBTWSQUQVUFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19733805

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

571.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.360

Distribution Coefficient, logD

7.358

Water Solubility, LogSw

-5.71

Polar Surface Area

52.608

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V009-8058 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-8058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8058?
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What is the minimum amount of V009-8058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8058
  • 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 V009-8058 available by request