V014-7682 Screening compound: N-[5-({[3-(trifluoromethoxy)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

V014-7682 Screening compound: N-[5-({[3-(trifluoromethoxy)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
V014-7682 Screening compound: N-[5-({[3-(trifluoromethoxy)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-7682
N-[5-({[3-(trifluoromethoxy)phenyl]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

V014-7682

Molecular Formula

C17H18F3N3O2S2 (C17 H18 F3 N3 O2 S2)

Compound Name

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

IUPAC name

N-[5-({[3-(trifluoromethoxy)phenyl]methyl}sulfanyl)-134-thiadiazol-2-yl]cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc1nnc(SCc2cc(OC(F)(F)F)ccc2)s1

InChI

InChI=1S/C17H18F3N3O2S2/c18-17(19,20)25-13-8-4-5-11(9-13)10-26-16-23-22-15(27-16)21-14(24)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H,21,22,24)

InChI Key

QZWJJBIJABIEKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.851

Distribution Coefficient, logD

5.844

Water Solubility, LogSw

-5.74

Polar Surface Area

52.093

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with V014-7682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-7682?
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What is the minimum amount of V014-7682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-7682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-7682
  • 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 V014-7682 available by request