0814-0191 Screening compound: 4-[(E)-[(4-{5-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-1H-1,3-benzodiazol-2-yl}phenyl)imino]methyl]-N,N-dimethylaniline

0814-0191 Screening compound: 4-[(E)-[(4-{5-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-1H-1,3-benzodiazol-2-yl}phenyl)imino]methyl]-N,N-dimethylaniline
0814-0191 Screening compound: 4-[(E)-[(4-{5-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-1H-1,3-benzodiazol-2-yl}phenyl)imino]methyl]-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0814-0191
4-[(E)-[(4-{5-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-1H-1,3-benzodiazol-2-yl}phenyl)imino]methyl]-N,N-dimethylaniline

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

0814-0191

Molecular Formula

C31H30N6 (C31 H30 N6)

Compound Name

4-[(E)-[(4-{5-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-1H-1,3-benzodiazol-2-yl}phenyl)imino]methyl]-N,N-dimethylaniline

IUPAC name

4-[(E)-[(4-{5-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-1H-13-benzodiazol-2-yl}phenyl)imino]methyl]-NN-dimethylaniline

SMILES

CN(C)c1ccc(/C=N/c(cc2)ccc2-c2nc(cc(cc3)/N=C/c(cc4)ccc4N(C)C)c3[nH]2)cc1

InChI

InChI=1S/C31H30N6/c1-36(2)27-14-5-22(6-15-27)20-32-25-11-9-24(10-12-25)31-34-29-18-13-26(19-30(29)35-31)33-21-23-7-16-28(17-8-23)37(3)4/h5-21H,1-4H3,(H,34,35)

InChI Key

BQOOYTWNHZMHEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.904

Distribution Coefficient, logD

5.900

Water Solubility, LogSw

-5.76

Polar Surface Area

41.122

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

0814-0191 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 0814-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 0814-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0814-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0814-0191
  • 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 0814-0191 available by request