V010-0587 Screening compound: N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

V010-0587 Screening compound: N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
V010-0587 Screening compound: N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0587
N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

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

V010-0587

Molecular Formula

C16H18FN3OS2 (C16 H18 FN3 OS2)

Compound Name

N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

IUPAC name

N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc1nnc(SCc(cccc2)c2F)s1

InChI

InChI=1S/C16H18FN3OS2/c17-13-9-5-4-8-12(13)10-22-16-20-19-15(23-16)18-14(21)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,19,21)

InChI Key

YECYNSSPWKPVCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02033165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.72

Polar Surface Area

46.156

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with V010-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0587?
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What is the minimum amount of V010-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0587
  • 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 V010-0587 available by request