3601-0934 Screening compound: 1-amino-2-cyano-3-(2,4,5-trimethoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3601-0934 Screening compound: 1-amino-2-cyano-3-(2,4,5-trimethoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3601-0934 Screening compound: 1-amino-2-cyano-3-(2,4,5-trimethoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0934
1-amino-2-cyano-3-(2,4,5-trimethoxyphenyl)pyrido[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

3601-0934

Molecular Formula

C22H17N5O3 (C22 H17 N5 O3)

Compound Name

1-amino-2-cyano-3-(2,4,5-trimethoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-amino-11-(245-trimethoxyphenyl)-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-1012-dicarbonitrile

SMILES

COc(c(-c(c(C#N)c(N)n1c2nc3c1cccc3)c2C#N)c1)cc(OC)c1OC

InChI

InChI=1S/C22H17N5O3/c1-28-17-9-19(30-3)18(29-2)8-12(17)20-13(10-23)21(25)27-16-7-5-4-6-15(16)26-22(27)14(20)11-24/h4-9H,25H2,1-3H3

InChI Key

SRBUGTHCXSETFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.61

Polar Surface Area

84.035

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3601-0934 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3601-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0934?
Check Price and Availability of 3601-0934, 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 3601-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0934
  • 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 3601-0934 available by request