Y032-1991 Screening compound: 4,5-dimethoxy-2-nitro-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}benzamide

Y032-1991 Screening compound: 4,5-dimethoxy-2-nitro-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}benzamide
Y032-1991 Screening compound: 4,5-dimethoxy-2-nitro-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-1991
4,5-dimethoxy-2-nitro-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}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

Y032-1991

Molecular Formula

C18H16N4O7S2 (C18 H16 N4 O7 S2)

Compound Name

4,5-dimethoxy-2-nitro-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}benzamide

IUPAC name

45-dimethoxy-2-nitro-N-{4-[(13-thiazol-2-yl)sulfamoyl]phenyl}benzamide

SMILES

COc(c(OC)c1)cc(C(Nc(cc2)ccc2S(Nc2nccs2)(=O)=O)=O)c1[N+]([O-])=O

InChI

InChI=1S/C18H16N4O7S2/c1-28-15-9-13(14(22(24)25)10-16(15)29-2)17(23)20-11-3-5-12(6-4-11)31(26,27)21-18-19-7-8-30-18/h3-10H,1-2H3,(H,19,21)(H,20,23)

InChI Key

AGRLWHMCVOWRFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03575705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.231

Distribution Coefficient, logD

1.822

Water Solubility, LogSw

-3.22

Polar Surface Area

122.799

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

References: we are preparing a list of scientific research reports with Y032-1991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-1991?
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What is the minimum amount of Y032-1991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-1991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-1991
  • 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 Y032-1991 available by request