8015-9196 Screening compound: N~1~-(1,3-benzothiazol-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide

8015-9196 Screening compound: N~1~-(1,3-benzothiazol-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
8015-9196 Screening compound: N~1~-(1,3-benzothiazol-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9196
N~1~-(1,3-benzothiazol-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide

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

8015-9196

Molecular Formula

C14H13N5O3S (C14 H13 N5 O3 S)

Compound Name

N~1~-(1,3-benzothiazol-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide

IUPAC name

N-(13-benzothiazol-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide

SMILES

[O-][N+](c1cn(CCCC(Nc2nc(cccc3)c3s2)=O)nc1)=O

InChI

InChI=1S/C14H13N5O3S/c20-13(6-3-7-18-9-10(8-15-18)19(21)22)17-14-16-11-4-1-2-5-12(11)23-14/h1-2,4-5,8-9H,3,6-7H2,(H,16,17,20)

InChI Key

IZMQKFQHWBTMSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.859

Distribution Coefficient, logD

1.858

Water Solubility, LogSw

-2.26

Polar Surface Area

81.015

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8015-9196 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 8015-9196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9196?
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What is the minimum amount of 8015-9196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9196
  • 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 8015-9196 available by request