2081-0712 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide

2081-0712 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide
2081-0712 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0712
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide

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

2081-0712

Molecular Formula

C20H10BrClN4O6 (C20 H10 BrClN4 O6)

Compound Name

N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide

IUPAC name

N-[2-(5-bromo-2-chlorophenyl)-13-benzoxazol-5-yl]-24-dinitrobenzamide

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1C(Nc(cc1)cc2c1oc(-c(cc(cc1)Br)c1Cl)n2)=O)=O

InChI

InChI=1S/C20H10BrClN4O6/c21-10-1-5-15(22)14(7-10)20-24-16-8-11(2-6-18(16)32-20)23-19(27)13-4-3-12(25(28)29)9-17(13)26(30)31/h1-9H,(H,23,27)

InChI Key

IOQUGOVTEOMYNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.68

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.692

Distribution Coefficient, logD

5.356

Water Solubility, LogSw

-6.10

Polar Surface Area

106.602

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2081-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0712?
Check Price and Availability of 2081-0712, 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 2081-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0712
  • 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 2081-0712 available by request