8016-9619 Screening compound: N-[5-(cyclopropylsulfamoyl)-2-methyl-3-nitrophenyl]thiophene-2-carboxamide

8016-9619 Screening compound: N-[5-(cyclopropylsulfamoyl)-2-methyl-3-nitrophenyl]thiophene-2-carboxamide
8016-9619 Screening compound: N-[5-(cyclopropylsulfamoyl)-2-methyl-3-nitrophenyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9619
N-[5-(cyclopropylsulfamoyl)-2-methyl-3-nitrophenyl]thiophene-2-carboxamide

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

8016-9619

Molecular Formula

C15H15N3O5S2 (C15 H15 N3 O5 S2)

Compound Name

N-[5-(cyclopropylsulfamoyl)-2-methyl-3-nitrophenyl]thiophene-2-carboxamide

IUPAC name

N-[5-(cyclopropylsulfamoyl)-2-methyl-3-nitrophenyl]thiophene-2-carboxamide

SMILES

Cc(c(NC(c1cccs1)=O)cc(S(NC1CC1)(=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C15H15N3O5S2/c1-9-12(16-15(19)14-3-2-6-24-14)7-11(8-13(9)18(20)21)25(22,23)17-10-4-5-10/h2-3,6-8,10,17H,4-5H2,1H3,(H,16,19)

InChI Key

XPVKCQNBTLBKRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.449

Water Solubility, LogSw

-3.46

Polar Surface Area

98.759

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8016-9619 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9619?
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What is the minimum amount of 8016-9619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9619
  • 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 8016-9619 available by request