4329-0205 Screening compound: 2-{[(3-chloro-4-piperidinophenyl)imino]methyl}-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4329-0205 Screening compound: 2-{[(3-chloro-4-piperidinophenyl)imino]methyl}-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4329-0205 Screening compound: 2-{[(3-chloro-4-piperidinophenyl)imino]methyl}-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4329-0205
2-{[(3-chloro-4-piperidinophenyl)imino]methyl}-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

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

4329-0205

Molecular Formula

C25H22ClN5O (C25 H22 ClN5 O)

Compound Name

2-{[(3-chloro-4-piperidinophenyl)imino]methyl}-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-[(E)-{[3-chloro-4-(piperidin-1-yl)phenyl]imino}methyl]-13-hydroxy-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(/C=N/c(cc1)cc(Cl)c1N1CCCCC1)c(n1c2nc3c1cccc3)O)c2C#N

InChI

InChI=1S/C25H22ClN5O/c1-16-18(14-27)24-29-21-7-3-4-8-23(21)31(24)25(32)19(16)15-28-17-9-10-22(20(26)13-17)30-11-5-2-6-12-30/h3-4,7-10,13,15,32H,2,5-6,11-12H2,1H3

InChI Key

WEPWUHCHSCUQMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04085166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.416

Distribution Coefficient, logD

1.142

Water Solubility, LogSw

-5.56

Polar Surface Area

51.818

Acid Dissociation Constant (pKa)

3.13

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4329-0205 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4329-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4329-0205?
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What is the minimum amount of 4329-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4329-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4329-0205
  • 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 4329-0205 available by request