V016-6663 Screening compound: 2-(benzyloxy)-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

V016-6663 Screening compound: 2-(benzyloxy)-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
V016-6663 Screening compound: 2-(benzyloxy)-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6663
2-(benzyloxy)-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

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

V016-6663

Molecular Formula

C20H19N3O4S2 (C20 H19 N3 O4 S2)

Compound Name

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

IUPAC name

2-(benzyloxy)-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-134-thiadiazol-2-yl)acetamide

SMILES

COc(cc1)ccc1C(CSc1nnc(NC(COCc2ccccc2)=O)s1)=O

InChI

InChI=1S/C20H19N3O4S2/c1-26-16-9-7-15(8-10-16)17(24)13-28-20-23-22-19(29-20)21-18(25)12-27-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,21,22,25)

InChI Key

NPJMRUVTSBZCTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857468

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-4.12

Polar Surface Area

74.976

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V016-6663 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-6663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6663?
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What is the minimum amount of V016-6663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6663
  • 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 V016-6663 available by request