Y032-3786 Screening compound: N-{4-[(cyclohexylamino)sulfonyl]phenyl}-4,5-dimethoxy-2-nitrobenzamide

Y032-3786 Screening compound: N-{4-[(cyclohexylamino)sulfonyl]phenyl}-4,5-dimethoxy-2-nitrobenzamide
Y032-3786 Screening compound: N-{4-[(cyclohexylamino)sulfonyl]phenyl}-4,5-dimethoxy-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3786
N-{4-[(cyclohexylamino)sulfonyl]phenyl}-4,5-dimethoxy-2-nitrobenzamide

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

Y032-3786

Molecular Formula

C21H25N3O7S (C21 H25 N3 O7 S)

Compound Name

N-{4-[(cyclohexylamino)sulfonyl]phenyl}-4,5-dimethoxy-2-nitrobenzamide

IUPAC name

N-[4-(cyclohexylsulfamoyl)phenyl]-45-dimethoxy-2-nitrobenzamide

SMILES

COc(c(OC)c1)cc(C(Nc(cc2)ccc2S(NC2CCCCC2)(=O)=O)=O)c1[N+]([O-])=O

InChI

InChI=1S/C21H25N3O7S/c1-30-19-12-17(18(24(26)27)13-20(19)31-2)21(25)22-14-8-10-16(11-9-14)32(28,29)23-15-6-4-3-5-7-15/h8-13,15,23H,3-7H2,1-2H3,(H,22,25)

InChI Key

TVWMBXRLCCNMAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06153186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-4.07

Polar Surface Area

113.368

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

Y032-3786 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 Y032-3786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3786?
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What is the minimum amount of Y032-3786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3786
  • 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 Y032-3786 available by request