7009-0719 Screening compound: 4-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)benzene-1-sulfonamide

7009-0719 Screening compound: 4-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)benzene-1-sulfonamide
7009-0719 Screening compound: 4-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7009-0719
4-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)benzene-1-sulfonamide

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

7009-0719

Molecular Formula

C16H12N2O5S (C16 H12 N2 O5 S)

Compound Name

4-({[(3Z)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)benzene-1-sulfonamide

IUPAC name

4-({[(3Z)-24-dioxo-34-dihydro-2H-1-benzopyran-3-ylidene]methyl}amino)benzene-1-sulfonamide

SMILES

NS(c(cc1)ccc1N/C=C(/C(c(cccc1)c1O1)=O)\C1=O)(=O)=O

InChI

InChI=1S/C16H12N2O5S/c17-24(21,22)11-7-5-10(6-8-11)18-9-13-15(19)12-3-1-2-4-14(12)23-16(13)20/h1-9,18H,(H2,17,21,22)

InChI Key

WKNBRGAPJQRDRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05088087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.175

Distribution Coefficient, logD

1.144

Water Solubility, LogSw

-2.06

Polar Surface Area

96.239

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7009-0719 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7009-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7009-0719?
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What is the minimum amount of 7009-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7009-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7009-0719
  • 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 7009-0719 available by request