Y032-3846 Screening compound: 3-(benzylsulfonyl)-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}propanamide

Y032-3846 Screening compound: 3-(benzylsulfonyl)-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}propanamide
Y032-3846 Screening compound: 3-(benzylsulfonyl)-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3846
3-(benzylsulfonyl)-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}propanamide

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

Y032-3846

Molecular Formula

C19H17N3O7S3 (C19 H17 N3 O7 S3)

Compound Name

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

IUPAC name

N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]-3-phenylmethanesulfonylpropanamide

SMILES

[O-][N+](c(cc1)ccc1S(c1cnc(NC(CCS(Cc2ccccc2)(=O)=O)=O)s1)(=O)=O)=O

InChI

InChI=1S/C19H17N3O7S3/c23-17(10-11-31(26,27)13-14-4-2-1-3-5-14)21-19-20-12-18(30-19)32(28,29)16-8-6-15(7-9-16)22(24)25/h1-9,12H,10-11,13H2,(H,20,21,23)

InChI Key

LEVHLHYJNJRICP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.56

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.283

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-2.63

Polar Surface Area

124.867

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

Y032-3846 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y032-3846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3846?
Check Price and Availability of Y032-3846, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y032-3846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3846
  • 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 Y032-3846 available by request