8020-0065 Screening compound: methyl 2-amino-3-bromo-5-methylbenzoate

8020-0065 Screening compound: methyl 2-amino-3-bromo-5-methylbenzoate
8020-0065 Screening compound: methyl 2-amino-3-bromo-5-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0065
methyl 2-amino-3-bromo-5-methylbenzoate

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

8020-0065

Molecular Formula

C9H10BrNO2 (C9 H10 BrNO2)

Compound Name

methyl 2-amino-3-bromo-5-methylbenzoate

IUPAC name

methyl 2-amino-3-bromo-5-methylbenzoate

SMILES

Cc(cc1C(OC)=O)cc(Br)c1N

InChI

InChI=1S/C9H10BrNO2/c1-5-3-6(9(12)13-2)8(11)7(10)4-5/h3-4H,11H2,1-2H3

InChI Key

DHWLYKLRXJWJJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07439821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.09

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.528

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-2.45

Polar Surface Area

40.798

Acid Dissociation Constant (pKa)

17.40

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8020-0065 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0065?
Check Price and Availability of 8020-0065, 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 8020-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0065
  • 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 8020-0065 available by request