V010-2128 Screening compound: 4-tert-butyl-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

V010-2128 Screening compound: 4-tert-butyl-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
V010-2128 Screening compound: 4-tert-butyl-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-2128
4-tert-butyl-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

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

V010-2128

Molecular Formula

C22H23N3O3S2 (C22 H23 N3 O3 S2)

Compound Name

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

IUPAC name

4-tert-butyl-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-134-thiadiazol-2-yl)benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1nnc(SCC(c(cc2)ccc2OC)=O)s1)=O

InChI

InChI=1S/C22H23N3O3S2/c1-22(2,3)16-9-5-15(6-10-16)19(27)23-20-24-25-21(30-20)29-13-18(26)14-7-11-17(28-4)12-8-14/h5-12H,13H2,1-4H3,(H,23,24,27)

InChI Key

WHLKYDSGMBIURJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857463

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.58

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

5.792

Distribution Coefficient, logD

5.735

Water Solubility, LogSw

-5.49

Polar Surface Area

66.755

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V010-2128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-2128?
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What is the minimum amount of V010-2128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-2128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-2128
  • 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 V010-2128 available by request