V014-1878 Screening compound: N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

V014-1878 Screening compound: N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
V014-1878 Screening compound: N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1878
N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]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

V014-1878

Molecular Formula

C18H21N3O3S2 (C18 H21 N3 O3 S2)

Compound Name

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

IUPAC name

N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-134-thiadiazol-2-yl)cyclohexanecarboxamide

SMILES

COc1cccc(C(CSc2nnc(NC(C3CCCCC3)=O)s2)=O)c1

InChI

InChI=1S/C18H21N3O3S2/c1-24-14-9-5-8-13(10-14)15(22)11-25-18-21-20-17(26-18)19-16(23)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3,(H,19,20,23)

InChI Key

JPCAMOFYJMYYCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.494

Distribution Coefficient, logD

4.488

Water Solubility, LogSw

-4.37

Polar Surface Area

66.947

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with V014-1878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1878?
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What is the minimum amount of V014-1878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1878
  • 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 V014-1878 available by request