5128-0665 Screening compound: (5Z)-2-amino-4,6-dimethyl-5-{[4-(morpholin-4-yl)phenyl]methylidene}-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile

5128-0665 Screening compound: (5Z)-2-amino-4,6-dimethyl-5-{[4-(morpholin-4-yl)phenyl]methylidene}-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
5128-0665 Screening compound: (5Z)-2-amino-4,6-dimethyl-5-{[4-(morpholin-4-yl)phenyl]methylidene}-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5128-0665
(5Z)-2-amino-4,6-dimethyl-5-{[4-(morpholin-4-yl)phenyl]methylidene}-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile

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

5128-0665

Molecular Formula

C23H21N5O (C23 H21 N5 O)

Compound Name

(5Z)-2-amino-4,6-dimethyl-5-{[4-(morpholin-4-yl)phenyl]methylidene}-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile

IUPAC name

(5Z)-2-amino-46-dimethyl-5-{[4-(morpholin-4-yl)phenyl]methylidene}-5H-cyclopenta[b]pyridine-37-dicarbonitrile

SMILES

CC(/C(/c1c(C)c(C#N)c(N)nc11)=C/c(cc2)ccc2N2CCOCC2)=C1C#N

InChI

InChI=1S/C23H21N5O/c1-14-18(11-16-3-5-17(6-4-16)28-7-9-29-10-8-28)21-15(2)20(13-25)23(26)27-22(21)19(14)12-24/h3-6,11H,7-10H2,1-2H3,(H2,26,27)

InChI Key

CCWMSGVIDBPNNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05239421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.14

Polar Surface Area

75.900

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

5128-0665 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5128-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5128-0665?
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What is the minimum amount of 5128-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5128-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5128-0665
  • 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 5128-0665 available by request