1391-0718 Screening compound: (2Z)-3-(1H-1,3-benzodiazol-2-yl)-8-methoxy-N-phenyl-2H-chromen-2-imine

1391-0718 Screening compound: (2Z)-3-(1H-1,3-benzodiazol-2-yl)-8-methoxy-N-phenyl-2H-chromen-2-imine
1391-0718 Screening compound: (2Z)-3-(1H-1,3-benzodiazol-2-yl)-8-methoxy-N-phenyl-2H-chromen-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1391-0718
(2Z)-3-(1H-1,3-benzodiazol-2-yl)-8-methoxy-N-phenyl-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

1391-0718

Molecular Formula

C23H17N3O2 (C23 H17 N3 O2)

Compound Name

(2Z)-3-(1H-1,3-benzodiazol-2-yl)-8-methoxy-N-phenyl-2H-chromen-2-imine

IUPAC name

(2Z)-3-(1H-13-benzodiazol-2-yl)-8-methoxy-N-phenyl-2H-chromen-2-imine

SMILES

COc(cccc1C=C2c3nc(cccc4)c4[nH]3)c1O/C2=N\c1ccccc1

InChI

InChI=1S/C23H17N3O2/c1-27-20-13-7-8-15-14-17(22-25-18-11-5-6-12-19(18)26-22)23(28-21(15)20)24-16-9-3-2-4-10-16/h2-14H,1H3,(H,25,26)

InChI Key

OFTHMZSXTGAKFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.320

Distribution Coefficient, logD

2.815

Water Solubility, LogSw

-4.65

Polar Surface Area

42.279

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

1391-0718 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1391-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1391-0718?
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What is the minimum amount of 1391-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1391-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1391-0718
  • 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 1391-0718 available by request