3931-0064 Screening compound: 5-nitro-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide

3931-0064 Screening compound: 5-nitro-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide
3931-0064 Screening compound: 5-nitro-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-0064
5-nitro-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-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

3931-0064

Molecular Formula

C19H13N5O5S2 (C19 H13 N5 O5 S2)

Compound Name

5-nitro-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide

IUPAC name

5-nitro-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide

SMILES

[O-][N+](c(cc1)cc2c1sc(C(Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O)=O)c2)=O

InChI

InChI=1S/C19H13N5O5S2/c25-18(17-11-12-10-14(24(26)27)4-7-16(12)30-17)22-13-2-5-15(6-3-13)31(28,29)23-19-20-8-1-9-21-19/h1-11H,(H,22,25)(H,20,21,23)

InChI Key

MLPHHJSRWUHCTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

2.227

Water Solubility, LogSw

-3.52

Polar Surface Area

118.677

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3931-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-0064?
Check Price and Availability of 3931-0064, 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 3931-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-0064
  • 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 3931-0064 available by request