C063-0013 Screening compound: 11-{[3-(diethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

C063-0013 Screening compound: 11-{[3-(diethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
C063-0013 Screening compound: 11-{[3-(diethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound C063-0013
11-{[3-(diethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]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

C063-0013

Molecular Formula

C22H27N5 (C22 H27 N5)

Compound Name

11-{[3-(diethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

16-{[3-(diethylamino)propyl]amino}-18-diazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-2(7)3581015-hexaene-10-carbonitrile

SMILES

CCN(CC)CCCNc(n1c2nc3c1cccc3)c(CCC1)c1c2C#N

InChI

InChI=1S/C22H27N5/c1-3-26(4-2)14-8-13-24-21-17-10-7-9-16(17)18(15-23)22-25-19-11-5-6-12-20(19)27(21)22/h5-6,11-12,24H,3-4,7-10,13-14H2,1-2H3

InChI Key

VQQIYRDBVXWEHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

0.941

Water Solubility, LogSw

-3.51

Polar Surface Area

40.802

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C063-0013 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C063-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C063-0013?
Check Price and Availability of C063-0013, 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 C063-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C063-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C063-0013
  • 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 C063-0013 available by request