D328-0457 Screening compound: 3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

D328-0457 Screening compound: 3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
D328-0457 Screening compound: 3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D328-0457
3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

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

D328-0457

Molecular Formula

C14H13N3O3S (C14 H13 N3 O3 S)

Compound Name

3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

IUPAC name

3-nitro-N-(4567-tetrahydro-13-benzothiazol-2-yl)benzamide

SMILES

[O-][N+](c1cccc(C(Nc2nc(CCCC3)c3s2)=O)c1)=O

InChI

InChI=1S/C14H13N3O3S/c18-13(9-4-3-5-10(8-9)17(19)20)16-14-15-11-6-1-2-7-12(11)21-14/h3-5,8H,1-2,6-7H2,(H,15,16,18)

InChI Key

ZPAFCPVABCFQOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

1.806

Water Solubility, LogSw

-4.05

Polar Surface Area

68.179

Acid Dissociation Constant (pKa)

5.49

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D328-0457 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D328-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D328-0457?
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What is the minimum amount of D328-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D328-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D328-0457
  • 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 D328-0457 available by request