Y031-9297 Screening compound: 3-[(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}anilino)carbonyl]-5-nitrobenzoic acid

Y031-9297 Screening compound: 3-[(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}anilino)carbonyl]-5-nitrobenzoic acid
Y031-9297 Screening compound: 3-[(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}anilino)carbonyl]-5-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9297
3-[(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}anilino)carbonyl]-5-nitrobenzoic acid

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

Y031-9297

Molecular Formula

C19H15N5O7S (C19 H15 N5 O7 S)

Compound Name

3-[(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}anilino)carbonyl]-5-nitrobenzoic acid

IUPAC name

3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoic acid

SMILES

Cc1ccnc(NS(c(cc2)ccc2NC(c2cc([N+]([O-])=O)cc(C(O)=O)c2)=O)(=O)=O)n1

InChI

InChI=1S/C19H15N5O7S/c1-11-6-7-20-19(21-11)23-32(30,31)16-4-2-14(3-5-16)22-17(25)12-8-13(18(26)27)10-15(9-12)24(28)29/h2-10H,1H3,(H,22,25)(H,26,27)(H,20,21,23)

InChI Key

XXXUZZAXDYNMDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03614735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.42

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.280

Distribution Coefficient, logD

-1.907

Water Solubility, LogSw

-2.97

Polar Surface Area

145.713

Acid Dissociation Constant (pKa)

3.21

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

References: we are preparing a list of scientific research reports with Y031-9297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9297?
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What is the minimum amount of Y031-9297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9297
  • 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 Y031-9297 available by request