4708-0176 Screening compound: 2-(4-chlorobenzyl)-1-[(3,4-dimethoxyphenethyl)amino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0176 Screening compound: 2-(4-chlorobenzyl)-1-[(3,4-dimethoxyphenethyl)amino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0176 Screening compound: 2-(4-chlorobenzyl)-1-[(3,4-dimethoxyphenethyl)amino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0176
2-(4-chlorobenzyl)-1-[(3,4-dimethoxyphenethyl)amino]-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

4708-0176

Molecular Formula

C30H27ClN4O2 (C30 H27 ClN4 O2)

Compound Name

2-(4-chlorobenzyl)-1-[(3,4-dimethoxyphenethyl)amino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-[(4-chlorophenyl)methyl]-13-{[2-(34-dimethoxyphenyl)ethyl]amino}-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(Cc(cc1)ccc1Cl)c(NCCc(cc1)cc(OC)c1OC)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C30H27ClN4O2/c1-19-23(16-20-8-11-22(31)12-9-20)29(33-15-14-21-10-13-27(36-2)28(17-21)37-3)35-26-7-5-4-6-25(26)34-30(35)24(19)18-32/h4-13,17,33H,14-16H2,1-3H3

InChI Key

ZXNVMDAJGSRLOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.606

Distribution Coefficient, logD

6.606

Water Solubility, LogSw

-6.40

Polar Surface Area

49.845

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4708-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0176?
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What is the minimum amount of 4708-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0176
  • 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 4708-0176 available by request