0250-0045 Screening compound: 2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-1,3-benzodiazole

0250-0045 Screening compound: 2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-1,3-benzodiazole
0250-0045 Screening compound: 2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0250-0045
2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-1,3-benzodiazole

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

0250-0045

Molecular Formula

C10H6Cl3N3O2 (C10 H6 Cl3 N3 O2)

Compound Name

2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-1,3-benzodiazole

IUPAC name

2-(233-trichloro-1-nitroprop-2-en-1-ylidene)-23-dihydro-1H-13-benzodiazole

SMILES

[O-][N+](C(C(Cl)=C(Cl)Cl)=C1Nc(cccc2)c2N1)=O

InChI

InChI=1S/C10H6Cl3N3O2/c11-7(9(12)13)8(16(17)18)10-14-5-3-1-2-4-6(5)15-10/h1-4,14-15H

InChI Key

NMWNNVAECBLGFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00193163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-4.33

Polar Surface Area

55.115

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0250-0045 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0250-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0250-0045?
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What is the minimum amount of 0250-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0250-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0250-0045
  • 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 0250-0045 available by request