6243-0796 Screening compound: (5E)-2-amino-5-{[3-methoxy-2-(propan-2-yloxy)phenyl]methylidene}-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile

6243-0796 Screening compound: (5E)-2-amino-5-{[3-methoxy-2-(propan-2-yloxy)phenyl]methylidene}-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
6243-0796 Screening compound: (5E)-2-amino-5-{[3-methoxy-2-(propan-2-yloxy)phenyl]methylidene}-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6243-0796
(5E)-2-amino-5-{[3-methoxy-2-(propan-2-yloxy)phenyl]methylidene}-4,6-dimethyl-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

6243-0796

Molecular Formula

C23H22N4O2 (C23 H22 N4 O2)

Compound Name

(5E)-2-amino-5-{[3-methoxy-2-(propan-2-yloxy)phenyl]methylidene}-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile

IUPAC name

(5E)-2-amino-5-{[3-methoxy-2-(propan-2-yloxy)phenyl]methylidene}-46-dimethyl-5H-cyclopenta[b]pyridine-37-dicarbonitrile

SMILES

CC(C)Oc(c(/C=C1/c2c(C)c(C#N)c(N)nc2C(C#N)=C1C)ccc1)c1OC

InChI

InChI=1S/C23H22N4O2/c1-12(2)29-22-15(7-6-8-19(22)28-5)9-16-13(3)17(10-24)21-20(16)14(4)18(11-25)23(26)27-21/h6-9,12H,1-5H3,(H2,26,27)

InChI Key

BZCRQLMIFIXKEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04030827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.926

Water Solubility, LogSw

-4.56

Polar Surface Area

79.146

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 6243-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6243-0796?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6243-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6243-0796
  • 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 6243-0796 available by request