8018-2994 Screening compound: methyl 3-amino-5-bromo-1H-indole-2-carboxylate

8018-2994 Screening compound: methyl 3-amino-5-bromo-1H-indole-2-carboxylate
8018-2994 Screening compound: methyl 3-amino-5-bromo-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2994
methyl 3-amino-5-bromo-1H-indole-2-carboxylate

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

8018-2994

Molecular Formula

C10H9BrN2O2 (C10 H9 BrN2 O2)

Compound Name

methyl 3-amino-5-bromo-1H-indole-2-carboxylate

IUPAC name

methyl 3-amino-5-bromo-1H-indole-2-carboxylate

SMILES

COC(c([nH]c(cc1)c2cc1Br)c2N)=O

InChI

InChI=1S/C10H9BrN2O2/c1-15-10(14)9-8(12)6-4-5(11)2-3-7(6)13-9/h2-4,13H,12H2,1H3

InChI Key

STGQKSMTFMBFMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06809705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.1

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-2.85

Polar Surface Area

50.918

Acid Dissociation Constant (pKa)

16.69

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8018-2994 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-2994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2994?
Check Price and Availability of 8018-2994, 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 8018-2994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2994
  • 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 8018-2994 available by request