1611-1697 Screening compound: (3E)-1,1,1-trifluoro-4-[(2-{[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]amino}phenyl)amino]but-3-en-2-one

1611-1697 Screening compound: (3E)-1,1,1-trifluoro-4-[(2-{[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]amino}phenyl)amino]but-3-en-2-one
1611-1697 Screening compound: (3E)-1,1,1-trifluoro-4-[(2-{[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]amino}phenyl)amino]but-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-1697
(3E)-1,1,1-trifluoro-4-[(2-{[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]amino}phenyl)amino]but-3-en-2-one

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

1611-1697

Molecular Formula

C14H10F6N2O2 (C14 H10 F6 N2 O2)

Compound Name

(3E)-1,1,1-trifluoro-4-[(2-{[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]amino}phenyl)amino]but-3-en-2-one

IUPAC name

(3E)-111-trifluoro-4-[(2-{[(1E)-444-trifluoro-3-oxobut-1-en-1-yl]amino}phenyl)amino]but-3-en-2-one

SMILES

O=C(C(F)(F)F)/C=C/Nc(cccc1)c1N/C=C/C(C(F)(F)F)=O

InChI

InChI=1S/C14H10F6N2O2/c15-13(16,17)11(23)5-7-21-9-3-1-2-4-10(9)22-8-6-12(24)14(18,19)20/h1-8,21-22H

InChI Key

OPEFORDWIKGFNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.753

Distribution Coefficient, logD

1.500

Water Solubility, LogSw

-1.89

Polar Surface Area

47.850

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 1611-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-1697?
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What is the minimum amount of 1611-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-1697
  • 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 1611-1697 available by request