Y032-1651 Screening compound: 3,4,5-triethoxy-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}benzamide

Y032-1651 Screening compound: 3,4,5-triethoxy-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}benzamide
Y032-1651 Screening compound: 3,4,5-triethoxy-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-1651
3,4,5-triethoxy-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-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

Y032-1651

Molecular Formula

C22H23N3O8S2 (C22 H23 N3 O8 S2)

Compound Name

3,4,5-triethoxy-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}benzamide

IUPAC name

345-triethoxy-N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]benzamide

SMILES

CCOc1cc(C(Nc(s2)ncc2S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C22H23N3O8S2/c1-4-31-17-11-14(12-18(32-5-2)20(17)33-6-3)21(26)24-22-23-13-19(34-22)35(29,30)16-9-7-15(8-10-16)25(27)28/h7-13H,4-6H2,1-3H3,(H,23,24,26)

InChI Key

LBYPBDITLPFBGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02862346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.57

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.291

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.17

Polar Surface Area

118.497

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y032-1651 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-1651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-1651?
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What is the minimum amount of Y032-1651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-1651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-1651
  • 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 Y032-1651 available by request