D731-0484 Screening compound: 2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide

D731-0484 Screening compound: 2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide
D731-0484 Screening compound: 2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0484
2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide

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

D731-0484

Molecular Formula

C16H15ClN6O3S2 (C16 H15 ClN6 O3 S2)

Compound Name

2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide

IUPAC name

2-{[1-(4-chlorophenyl)-1H-1234-tetrazol-5-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide

SMILES

CC(C(Nc(cc1)ccc1S(N)(=O)=O)=O)Sc1nnnn1-c(cc1)ccc1Cl

InChI

InChI=1S/C16H15ClN6O3S2/c1-10(15(24)19-12-4-8-14(9-5-12)28(18,25)26)27-16-20-21-22-23(16)13-6-2-11(17)3-7-13/h2-10H,1H3,(H,19,24)(H2,18,25,26)/t10-/m0/s1

InChI Key

AJEQBUIMQVKFTR-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04798289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.92

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.283

Distribution Coefficient, logD

2.282

Water Solubility, LogSw

-3.29

Polar Surface Area

113.855

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

D731-0484 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D731-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0484?
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What is the minimum amount of D731-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0484
  • 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 D731-0484 available by request