1822-0189 Screening compound: methyl 2,2,2-tribromoacetate

1822-0189 Screening compound: methyl 2,2,2-tribromoacetate
1822-0189 Screening compound: methyl 2,2,2-tribromoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1822-0189
methyl 2,2,2-tribromoacetate

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

1822-0189

Molecular Formula

C3H3Br3O2 (C3 H3 Br3 O2)

Compound Name

methyl 2,2,2-tribromoacetate

IUPAC name

methyl 222-tribromoacetate

SMILES

COC(C(Br)(Br)Br)=O

InChI

InChI=1S/C3H3Br3O2/c1-8-2(7)3(4,5)6/h1H3

InChI Key

QQHSHLKOWBDOFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00192327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-1.95

Polar Surface Area

21.684

Acid Dissociation Constant (pKa)

34.84

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

1822-0189 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1822-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1822-0189?
Check Price and Availability of 1822-0189, 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 1822-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1822-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1822-0189
  • 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 1822-0189 available by request