8020-5369 Screening compound: 4-amino-3-bromo-5-methylbenzoic acid

8020-5369 Screening compound: 4-amino-3-bromo-5-methylbenzoic acid
8020-5369 Screening compound: 4-amino-3-bromo-5-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5369
4-amino-3-bromo-5-methylbenzoic 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

8020-5369

Molecular Formula

C8H8BrNO2 (C8 H8 BrNO2)

Compound Name

4-amino-3-bromo-5-methylbenzoic acid

IUPAC name

4-amino-3-bromo-5-methylbenzoic acid

SMILES

Cc1cc(C(O)=O)cc(Br)c1N

InChI

InChI=1S/C8H8BrNO2/c1-4-2-5(8(11)12)3-6(9)7(4)10/h2-3H,10H2,1H3,(H,11,12)

InChI Key

PVGKGOMPWNLCEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05975057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.06

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.481

Distribution Coefficient, logD

0.450

Water Solubility, LogSw

-2.04

Polar Surface Area

48.033

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8020-5369 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-5369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5369?
Check Price and Availability of 8020-5369, 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 8020-5369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5369
  • 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 8020-5369 available by request