1319-0112 Screening compound: 3-{[(2Z)-3-(1H-1,3-benzodiazol-2-yl)-8-methoxy-2H-chromen-2-ylidene]amino}benzonitrile

1319-0112 Screening compound: 3-{[(2Z)-3-(1H-1,3-benzodiazol-2-yl)-8-methoxy-2H-chromen-2-ylidene]amino}benzonitrile
1319-0112 Screening compound: 3-{[(2Z)-3-(1H-1,3-benzodiazol-2-yl)-8-methoxy-2H-chromen-2-ylidene]amino}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1319-0112
3-{[(2Z)-3-(1H-1,3-benzodiazol-2-yl)-8-methoxy-2H-chromen-2-ylidene]amino}benzonitrile

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

1319-0112

Molecular Formula

C24H16N4O2 (C24 H16 N4 O2)

Compound Name

3-{[(2Z)-3-(1H-1,3-benzodiazol-2-yl)-8-methoxy-2H-chromen-2-ylidene]amino}benzonitrile

IUPAC name

3-{[(2Z)-3-(1H-13-benzodiazol-2-yl)-8-methoxy-2H-chromen-2-ylidene]amino}benzonitrile

SMILES

COc(cccc1C=C2c3nc(cccc4)c4[nH]3)c1O/C2=N\c1cc(C#N)ccc1

InChI

InChI=1S/C24H16N4O2/c1-29-21-11-5-7-16-13-18(23-27-19-9-2-3-10-20(19)28-23)24(30-22(16)21)26-17-8-4-6-15(12-17)14-25/h2-13H,1H3,(H,27,28)

InChI Key

AKITZMMDDXHTKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.296

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-4.62

Polar Surface Area

59.335

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with 1319-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1319-0112?
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What is the minimum amount of 1319-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1319-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1319-0112
  • 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 1319-0112 available by request