4852-0016 Screening compound: 1-[(3,4-dimethoxyphenethyl)amino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0016 Screening compound: 1-[(3,4-dimethoxyphenethyl)amino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0016 Screening compound: 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 4852-0016
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

4852-0016

Molecular Formula

C23H22N4O2 (C23 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H22N4O2/c1-15-12-22(25-11-10-16-8-9-20(28-2)21(13-16)29-3)27-19-7-5-4-6-18(19)26-23(27)17(15)14-24/h4-9,12-13,25H,10-11H2,1-3H3

InChI Key

MWYNEJVVRXYASN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00656762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.44

Polar Surface Area

51.039

Acid Dissociation Constant (pKa)

17.80

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 4852-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0016?
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What is the minimum amount of 4852-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0016
  • 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 4852-0016 available by request