8012-5885 Screening compound: methyl 2-[(3,5-dichloropyridin-2-yl)amino]-2-acetamido-3,3,3-trifluoropropanoate

8012-5885 Screening compound: methyl 2-[(3,5-dichloropyridin-2-yl)amino]-2-acetamido-3,3,3-trifluoropropanoate
8012-5885 Screening compound: methyl 2-[(3,5-dichloropyridin-2-yl)amino]-2-acetamido-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5885
methyl 2-[(3,5-dichloropyridin-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

8012-5885

Molecular Formula

C11H10Cl2F3N3O3 (C11 H10 Cl2 F3 N3 O3)

Compound Name

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

IUPAC name

methyl 2-[(35-dichloropyridin-2-yl)amino]-2-acetamido-333-trifluoropropanoate

SMILES

CC(NC(C(F)(F)F)(C(OC)=O)Nc(ncc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C11H10Cl2F3N3O3/c1-5(20)18-10(9(21)22-2,11(14,15)16)19-8-7(13)3-6(12)4-17-8/h3-4H,1-2H3,(H,17,19)(H,18,20)/t10-/m1/s1

InChI Key

DRTXHSCJAAPIRC-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD03036706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.12

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

2.051

Distribution Coefficient, logD

1.972

Water Solubility, LogSw

-2.80

Polar Surface Area

64.649

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 8012-5885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5885?
Check Price and Availability of 8012-5885, 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 8012-5885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5885
  • 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 8012-5885 available by request