V010-0594 Screening compound: N-(5-{[2-oxo-2-(4-pentylphenyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

V010-0594 Screening compound: N-(5-{[2-oxo-2-(4-pentylphenyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
V010-0594 Screening compound: N-(5-{[2-oxo-2-(4-pentylphenyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0594
N-(5-{[2-oxo-2-(4-pentylphenyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

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

V010-0594

Molecular Formula

C20H25N3O2S2 (C20 H25 N3 O2 S2)

Compound Name

N-(5-{[2-oxo-2-(4-pentylphenyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

IUPAC name

N-(5-{[2-oxo-2-(4-pentylphenyl)ethyl]sulfanyl}-134-thiadiazol-2-yl)cyclobutanecarboxamide

SMILES

CCCCCc(cc1)ccc1C(CSc1nnc(NC(C2CCC2)=O)s1)=O

InChI

InChI=1S/C20H25N3O2S2/c1-2-3-4-6-14-9-11-15(12-10-14)17(24)13-26-20-23-22-19(27-20)21-18(25)16-7-5-8-16/h9-12,16H,2-8,13H2,1H3,(H,21,22,25)

InChI Key

AHNOKYRWIIZDPU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.250

Distribution Coefficient, logD

5.246

Water Solubility, LogSw

-4.97

Polar Surface Area

59.734

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V010-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0594?
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What is the minimum amount of V010-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0594
  • 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 V010-0594 available by request