8019-1318 Screening compound: ethyl 2-butanamido-2-[(3-chloro-4-fluorophenyl)amino]-3,3,3-trifluoropropanoate

8019-1318 Screening compound: ethyl 2-butanamido-2-[(3-chloro-4-fluorophenyl)amino]-3,3,3-trifluoropropanoate
8019-1318 Screening compound: ethyl 2-butanamido-2-[(3-chloro-4-fluorophenyl)amino]-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1318
ethyl 2-butanamido-2-[(3-chloro-4-fluorophenyl)amino]-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

8019-1318

Molecular Formula

C15H17ClF4N2O3 (C15 H17 ClF4 N2 O3)

Compound Name

ethyl 2-butanamido-2-[(3-chloro-4-fluorophenyl)amino]-3,3,3-trifluoropropanoate

IUPAC name

ethyl 2-butanamido-2-[(3-chloro-4-fluorophenyl)amino]-333-trifluoropropanoate

SMILES

CCCC(NC(C(F)(F)F)(C(OCC)=O)Nc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C15H17ClF4N2O3/c1-3-5-12(23)22-14(15(18,19)20,13(24)25-4-2)21-9-6-7-11(17)10(16)8-9/h6-8,21H,3-5H2,1-2H3,(H,22,23)/t14-/m0/s1

InChI Key

NXTHGGRFKVOGMW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03004948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.32

Polar Surface Area

54.339

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with 8019-1318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1318?
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What is the minimum amount of 8019-1318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1318
  • 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 8019-1318 available by request