1731-1500 Screening compound: 2,3-dibromo-3-(4-nitrophenyl)propanoic acid

1731-1500 Screening compound: 2,3-dibromo-3-(4-nitrophenyl)propanoic acid
1731-1500 Screening compound: 2,3-dibromo-3-(4-nitrophenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-1500
2,3-dibromo-3-(4-nitrophenyl)propanoic acid

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

1731-1500

Molecular Formula

C9H7Br2NO4 (C9 H7 Br2 NO4)

Compound Name

2,3-dibromo-3-(4-nitrophenyl)propanoic acid

IUPAC name

23-dibromo-3-(4-nitrophenyl)propanoic acid

SMILES

[O-][N+](c1ccc(C(C(C(O)=O)Br)Br)cc1)=O

InChI

InChI=1S/C9H7Br2NO4/c10-7(8(11)9(13)14)5-1-3-6(4-2-5)12(15)16/h1-4,7-8H,(H,13,14)

InChI Key

FZSNEPIHJADWSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.666

Distribution Coefficient, logD

-1.378

Water Solubility, LogSw

-2.76

Polar Surface Area

62.028

Acid Dissociation Constant (pKa)

3.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

1731-1500 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1731-1500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1731-1500?
Check Price and Availability of 1731-1500, 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 1731-1500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1731-1500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1731-1500
  • 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 1731-1500 available by request