6228-1783 Screening compound: 1-ethyl-N-(7-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide

6228-1783 Screening compound: 1-ethyl-N-(7-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
6228-1783 Screening compound: 1-ethyl-N-(7-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1783
1-ethyl-N-(7-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-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

6228-1783

Molecular Formula

C14H13N5O3S (C14 H13 N5 O3 S)

Compound Name

1-ethyl-N-(7-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide

IUPAC name

1-ethyl-N-(7-methyl-13-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide

SMILES

CCn1ncc([N+]([O-])=O)c1C(Nc1nc2cccc(C)c2s1)=O

InChI

InChI=1S/C14H13N5O3S/c1-3-18-11(10(7-15-18)19(21)22)13(20)17-14-16-9-6-4-5-8(2)12(9)23-14/h4-7H,3H2,1-2H3,(H,16,17,20)

InChI Key

NPEVFXGTTWPXAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05668245

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

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

2.734

Water Solubility, LogSw

-3.52

Polar Surface Area

79.126

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

6228-1783 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 6228-1783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1783?
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What is the minimum amount of 6228-1783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1783
  • 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 6228-1783 available by request