8012-1990 Screening compound: methyl 2-[(5-bromopyridin-2-yl)amino]-2-acetamido-3,3,3-trifluoropropanoate

8012-1990 Screening compound: methyl 2-[(5-bromopyridin-2-yl)amino]-2-acetamido-3,3,3-trifluoropropanoate
8012-1990 Screening compound: methyl 2-[(5-bromopyridin-2-yl)amino]-2-acetamido-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1990
methyl 2-[(5-bromopyridin-2-yl)amino]-2-acetamido-3,3,3-trifluoropropanoate

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

8012-1990

Molecular Formula

C11H11BrF3N3O3 (C11 H11 BrF3 N3 O3)

Compound Name

methyl 2-[(5-bromopyridin-2-yl)amino]-2-acetamido-3,3,3-trifluoropropanoate

IUPAC name

methyl 2-[(5-bromopyridin-2-yl)amino]-2-acetamido-333-trifluoropropanoate

SMILES

CC(NC(C(F)(F)F)(C(OC)=O)Nc(cc1)ncc1Br)=O

InChI

InChI=1S/C11H11BrF3N3O3/c1-6(19)17-10(9(20)21-2,11(13,14)15)18-8-4-3-7(12)5-16-8/h3-5H,1-2H3,(H,16,18)(H,17,19)/t10-/m1/s1

InChI Key

ACTCWGQGGHXOAJ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02934156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.13

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.494

Distribution Coefficient, logD

2.446

Water Solubility, LogSw

-2.79

Polar Surface Area

64.576

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

8012-1990 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-1990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1990?
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What is the minimum amount of 8012-1990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1990
  • 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 8012-1990 available by request