6243-0086 Screening compound: methyl 4-{[(5Z)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}benzoate

6243-0086 Screening compound: methyl 4-{[(5Z)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}benzoate
6243-0086 Screening compound: methyl 4-{[(5Z)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6243-0086
methyl 4-{[(5Z)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}benzoate

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

6243-0086

Molecular Formula

C21H16N4O2 (C21 H16 N4 O2)

Compound Name

methyl 4-{[(5Z)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}benzoate

IUPAC name

methyl 4-{[(5Z)-2-amino-37-dicyano-46-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}benzoate

SMILES

CC(/C(/c1c(C)c(C#N)c(N)nc11)=C/c(cc2)ccc2C(OC)=O)=C1C#N

InChI

InChI=1S/C21H16N4O2/c1-11-15(8-13-4-6-14(7-5-13)21(26)27-3)18-12(2)17(10-23)20(24)25-19(18)16(11)9-22/h4-8H,1-3H3,(H2,24,25)

InChI Key

GSNSXRJLZYJKFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01655274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-3.87

Polar Surface Area

85.713

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 6243-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6243-0086?
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What is the minimum amount of 6243-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6243-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6243-0086
  • 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 6243-0086 available by request