1391-0672 Screening compound: (2E)-6-methoxy-N-phenyl-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide

1391-0672 Screening compound: (2E)-6-methoxy-N-phenyl-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide
1391-0672 Screening compound: (2E)-6-methoxy-N-phenyl-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1391-0672
(2E)-6-methoxy-N-phenyl-2-[(phenylformamido)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

1391-0672

Molecular Formula

C24H19N3O4 (C24 H19 N3 O4)

Compound Name

(2E)-6-methoxy-N-phenyl-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide

IUPAC name

(2E)-6-methoxy-N-phenyl-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide

SMILES

COc(cc1)cc(C=C2C(Nc3ccccc3)=O)c1O/C2=N/NC(c1ccccc1)=O

InChI

InChI=1S/C24H19N3O4/c1-30-19-12-13-21-17(14-19)15-20(23(29)25-18-10-6-3-7-11-18)24(31-21)27-26-22(28)16-8-4-2-5-9-16/h2-15H,1H3,(H,25,29)(H,26,28)

InChI Key

QGPNFUPWGUJBGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-4.26

Polar Surface Area

73.727

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

1391-0672 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 1391-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1391-0672?
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What is the minimum amount of 1391-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1391-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1391-0672
  • 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 1391-0672 available by request