Y032-3426 Screening compound: dimethyl 5-{[(3-nitrophenyl)sulfonyl]amino}isophthalate

Y032-3426 Screening compound: dimethyl 5-{[(3-nitrophenyl)sulfonyl]amino}isophthalate
Y032-3426 Screening compound: dimethyl 5-{[(3-nitrophenyl)sulfonyl]amino}isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3426
dimethyl 5-{[(3-nitrophenyl)sulfonyl]amino}isophthalate

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

Y032-3426

Molecular Formula

C16H14N2O8S (C16 H14 N2 O8 S)

Compound Name

dimethyl 5-{[(3-nitrophenyl)sulfonyl]amino}isophthalate

IUPAC name

13-dimethyl 5-(3-nitrobenzenesulfonamido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NS(c2cc([N+]([O-])=O)ccc2)(=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C16H14N2O8S/c1-25-15(19)10-6-11(16(20)26-2)8-12(7-10)17-27(23,24)14-5-3-4-13(9-14)18(21)22/h3-9,17H,1-2H3

InChI Key

VJIXVIWISPIZMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05659928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.36

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.047

Distribution Coefficient, logD

2.017

Water Solubility, LogSw

-3.60

Polar Surface Area

116.617

Acid Dissociation Constant (pKa)

6.41

Base Dissociation Constant (pKb)

-15.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y032-3426 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y032-3426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3426?
Check Price and Availability of Y032-3426, 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 Y032-3426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3426
  • 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 Y032-3426 available by request