1319-0044 Screening compound: (2Z)-N-acetyl-6,8-dichloro-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide

1319-0044 Screening compound: (2Z)-N-acetyl-6,8-dichloro-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide
1319-0044 Screening compound: (2Z)-N-acetyl-6,8-dichloro-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1319-0044
(2Z)-N-acetyl-6,8-dichloro-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide

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

1319-0044

Molecular Formula

C19H11Cl2F3N2O3 (C19 H11 Cl2 F3 N2 O3)

Compound Name

(2Z)-N-acetyl-6,8-dichloro-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide

IUPAC name

(2Z)-N-acetyl-68-dichloro-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide

SMILES

CC(NC(C1=Cc2cc(Cl)cc(Cl)c2O/C1=N\c1cc(C(F)(F)F)ccc1)=O)=O

InChI

InChI=1S/C19H11Cl2F3N2O3/c1-9(27)25-17(28)14-6-10-5-12(20)8-15(21)16(10)29-18(14)26-13-4-2-3-11(7-13)19(22,23)24/h2-8H,1H3,(H,25,27,28)

InChI Key

QKHDPNPOIHLIFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.72

Polar Surface Area

53.070

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1319-0044 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1319-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1319-0044?
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What is the minimum amount of 1319-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1319-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1319-0044
  • 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 1319-0044 available by request