0250-0046 Screening compound: 2-[(2E)-3-chloro-1,3-dinitroprop-2-en-1-ylidene]-2,3-dihydro-1H-1,3-benzodiazole

0250-0046 Screening compound: 2-[(2E)-3-chloro-1,3-dinitroprop-2-en-1-ylidene]-2,3-dihydro-1H-1,3-benzodiazole
0250-0046 Screening compound: 2-[(2E)-3-chloro-1,3-dinitroprop-2-en-1-ylidene]-2,3-dihydro-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0250-0046
2-[(2E)-3-chloro-1,3-dinitroprop-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

0250-0046

Molecular Formula

C10H7ClN4O4 (C10 H7 ClN4 O4)

Compound Name

2-[(2E)-3-chloro-1,3-dinitroprop-2-en-1-ylidene]-2,3-dihydro-1H-1,3-benzodiazole

IUPAC name

2-[(2E)-3-chloro-13-dinitroprop-2-en-1-ylidene]-23-dihydro-1H-13-benzodiazole

SMILES

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

InChI

InChI=1S/C10H7ClN4O4/c11-9(15(18)19)5-8(14(16)17)10-12-6-3-1-2-4-7(6)13-10/h1-5,12-13H

InChI Key

OQTBGTQYMKJGSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00984796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

2.348

Water Solubility, LogSw

-3.19

Polar Surface Area

86.172

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0250-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0250-0046?
Check Price and Availability of 0250-0046, 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 0250-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0250-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0250-0046
  • 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 0250-0046 available by request