1319-0077 Screening compound: (2Z)-2-[(4-fluorophenyl)imino]-8-methoxy-N-phenyl-2H-chromene-3-carboxamide

1319-0077 Screening compound: (2Z)-2-[(4-fluorophenyl)imino]-8-methoxy-N-phenyl-2H-chromene-3-carboxamide
1319-0077 Screening compound: (2Z)-2-[(4-fluorophenyl)imino]-8-methoxy-N-phenyl-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1319-0077
(2Z)-2-[(4-fluorophenyl)imino]-8-methoxy-N-phenyl-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

1319-0077

Molecular Formula

C23H17FN2O3 (C23 H17 FN2 O3)

Compound Name

(2Z)-2-[(4-fluorophenyl)imino]-8-methoxy-N-phenyl-2H-chromene-3-carboxamide

IUPAC name

(2Z)-2-[(4-fluorophenyl)imino]-8-methoxy-N-phenyl-2H-chromene-3-carboxamide

SMILES

COc(cccc1C=C2C(Nc3ccccc3)=O)c1O/C2=N\c(cc1)ccc1F

InChI

InChI=1S/C23H17FN2O3/c1-28-20-9-5-6-15-14-19(22(27)25-17-7-3-2-4-8-17)23(29-21(15)20)26-18-12-10-16(24)11-13-18/h2-14H,1H3,(H,25,27)

InChI Key

DOCWOUGNJHAEDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

4.157

Water Solubility, LogSw

-4.55

Polar Surface Area

46.351

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

1319-0077 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1319-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1319-0077?
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What is the minimum amount of 1319-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1319-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1319-0077
  • 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 1319-0077 available by request