Y031-9318 Screening compound: 3-{bis[(2-nitrophenyl)sulfonyl]amino}-N,N-diethyl-4-methoxy-1-benzenesulfonamide

Y031-9318 Screening compound: 3-{bis[(2-nitrophenyl)sulfonyl]amino}-N,N-diethyl-4-methoxy-1-benzenesulfonamide
Y031-9318 Screening compound: 3-{bis[(2-nitrophenyl)sulfonyl]amino}-N,N-diethyl-4-methoxy-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9318
3-{bis[(2-nitrophenyl)sulfonyl]amino}-N,N-diethyl-4-methoxy-1-benzenesulfonamide

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

Y031-9318

Molecular Formula

C23H24N4O11S3 (C23 H24 N4 O11 S3)

Compound Name

3-{bis[(2-nitrophenyl)sulfonyl]amino}-N,N-diethyl-4-methoxy-1-benzenesulfonamide

IUPAC name

NN-diethyl-4-methoxy-3-[N-(2-nitrobenzenesulfonyl)2-nitrobenzenesulfonamido]benzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc(N(S(c(cccc2)c2[N+]([O-])=O)(=O)=O)S(c(cccc2)c2[N+]([O-])=O)(=O)=O)c1OC)(=O)=O

InChI

InChI=1S/C23H24N4O11S3/c1-4-24(5-2)39(32,33)17-14-15-21(38-3)20(16-17)27(40(34,35)22-12-8-6-10-18(22)25(28)29)41(36,37)23-13-9-7-11-19(23)26(30)31/h6-16H,4-5H2,1-3H3

InChI Key

KVLFPPCAIUAOGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09271365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

628.66

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.96

Polar Surface Area

165.590

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

References: we are preparing a list of scientific research reports with Y031-9318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9318?
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What is the minimum amount of Y031-9318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9318
  • 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 Y031-9318 available by request