0250-0047 Screening compound: (2Z)-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1,3-benzoxazole

0250-0047 Screening compound: (2Z)-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1,3-benzoxazole
0250-0047 Screening compound: (2Z)-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0250-0047
(2Z)-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1,3-benzoxazole

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

0250-0047

Molecular Formula

C10H5Cl3N2O3 (C10 H5 Cl3 N2 O3)

Compound Name

(2Z)-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1,3-benzoxazole

IUPAC name

(2Z)-2-(233-trichloro-1-nitroprop-2-en-1-ylidene)-23-dihydro-13-benzoxazole

SMILES

[O-][N+](/C(/C(Cl)=C(Cl)Cl)=C1\Oc(cccc2)c2N1)=O

InChI

InChI=1S/C10H5Cl3N2O3/c11-7(9(12)13)8(15(16)17)10-14-5-3-1-2-4-6(5)18-10/h1-4,14H

InChI Key

REFFNUIWWSTIBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.966

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-4.49

Polar Surface Area

53.816

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0250-0047 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 0250-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0250-0047?
Check Price and Availability of 0250-0047, 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 0250-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0250-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0250-0047
  • 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 0250-0047 available by request