4852-0157 Screening compound: 2-(4-chlorobenzyl)-1-[4-(5-chloro-2-methoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0157 Screening compound: 2-(4-chlorobenzyl)-1-[4-(5-chloro-2-methoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0157 Screening compound: 2-(4-chlorobenzyl)-1-[4-(5-chloro-2-methoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0157
2-(4-chlorobenzyl)-1-[4-(5-chloro-2-methoxybenzyl)piperazino]-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

4852-0157

Molecular Formula

C32H29Cl2N5O (C32 H29 Cl2 N5 O)

Compound Name

2-(4-chlorobenzyl)-1-[4-(5-chloro-2-methoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-12-[(4-chlorophenyl)methyl]-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(Cc(cc1)ccc1Cl)c(n1c2nc3c1cccc3)N1CCN(Cc(cc(cc3)Cl)c3OC)CC1)c2C#N

InChI

InChI=1S/C32H29Cl2N5O/c1-21-26(17-22-7-9-24(33)10-8-22)32(39-29-6-4-3-5-28(29)36-31(39)27(21)19-35)38-15-13-37(14-16-38)20-23-18-25(34)11-12-30(23)40-2/h3-12,18H,13-17,20H2,1-2H3

InChI Key

AGEXTKRPVKHJSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03416980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.855

Distribution Coefficient, logD

7.496

Water Solubility, LogSw

-6.65

Polar Surface Area

38.265

Acid Dissociation Constant (pKa)

23.71

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4852-0157 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 4852-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0157?
Check Price and Availability of 4852-0157, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4852-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0157
  • 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 4852-0157 available by request