1391-0649 Screening compound: (2E)-7-(diethylamino)-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide

1391-0649 Screening compound: (2E)-7-(diethylamino)-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide
1391-0649 Screening compound: (2E)-7-(diethylamino)-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1391-0649
(2E)-7-(diethylamino)-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

1391-0649

Molecular Formula

C21H22N4O3 (C21 H22 N4 O3)

Compound Name

(2E)-7-(diethylamino)-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide

IUPAC name

(2E)-7-(diethylamino)-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide

SMILES

CCN(CC)c(cc1)cc(O2)c1C=C(C(N)=O)/C2=N\NC(c1ccccc1)=O

InChI

InChI=1S/C21H22N4O3/c1-3-25(4-2)16-11-10-15-12-17(19(22)26)21(28-18(15)13-16)24-23-20(27)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,27)

InChI Key

XOQFEUBPURHWJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.661

Distribution Coefficient, logD

2.516

Water Solubility, LogSw

-3.28

Polar Surface Area

79.887

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1391-0649 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1391-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1391-0649?
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What is the minimum amount of 1391-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1391-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1391-0649
  • 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 1391-0649 available by request