1391-0741 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-6-methoxy-2H-chromen-2-imine

1391-0741 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-6-methoxy-2H-chromen-2-imine
1391-0741 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-6-methoxy-2H-chromen-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1391-0741
3-(1H-1,3-benzodiazol-2-yl)-6-methoxy-2H-chromen-2-imine

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

1391-0741

Molecular Formula

C17H13N3O2 (C17 H13 N3 O2)

Compound Name

3-(1H-1,3-benzodiazol-2-yl)-6-methoxy-2H-chromen-2-imine

IUPAC name

3-(1H-13-benzodiazol-2-yl)-6-methoxy-2H-chromen-2-imine

SMILES

COc(cc1)cc(C=C2c3nc(cccc4)c4[nH]3)c1OC2=N

InChI

InChI=1S/C17H13N3O2/c1-21-11-6-7-15-10(8-11)9-12(16(18)22-15)17-19-13-4-2-3-5-14(13)20-17/h2-9,18H,1H3,(H,19,20)

InChI Key

CGPDLANLOXPJHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00633149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

0.015

Water Solubility, LogSw

-3.29

Polar Surface Area

52.040

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1391-0741 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1391-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1391-0741?
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What is the minimum amount of 1391-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1391-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1391-0741
  • 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 1391-0741 available by request