V014-1863 Screening compound: N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide

V014-1863 Screening compound: N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
V014-1863 Screening compound: N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1863
N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide

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

V014-1863

Molecular Formula

C17H21N3O3S2 (C17 H21 N3 O3 S2)

Compound Name

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

IUPAC name

N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-134-thiadiazol-2-yl)-33-dimethylbutanamide

SMILES

CC(C)(C)CC(Nc1nnc(SCC(c2cc(OC)ccc2)=O)s1)=O

InChI

InChI=1S/C17H21N3O3S2/c1-17(2,3)9-14(22)18-15-19-20-16(25-15)24-10-13(21)11-6-5-7-12(8-11)23-4/h5-8H,9-10H2,1-4H3,(H,18,19,22)

InChI Key

XGQZUDXRJKVXAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.444

Distribution Coefficient, logD

4.439

Water Solubility, LogSw

-4.48

Polar Surface Area

66.813

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with V014-1863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1863?
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What is the minimum amount of V014-1863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1863
  • 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 V014-1863 available by request