6243-0772 Screening compound: ethyl 2-(3-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-1H-indol-1-yl)acetate

6243-0772 Screening compound: ethyl 2-(3-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-1H-indol-1-yl)acetate
6243-0772 Screening compound: ethyl 2-(3-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6243-0772
ethyl 2-(3-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-1H-indol-1-yl)acetate

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

6243-0772

Molecular Formula

C25H21N5O2 (C25 H21 N5 O2)

Compound Name

ethyl 2-(3-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-1H-indol-1-yl)acetate

IUPAC name

ethyl 2-(3-{[(5E)-2-amino-37-dicyano-46-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}-1H-indol-1-yl)acetate

SMILES

CCOC(Cn1c(cccc2)c2c(/C=C2/c3c(C)c(C#N)c(N)nc3C(C#N)=C2C)c1)=O

InChI

InChI=1S/C25H21N5O2/c1-4-32-22(31)13-30-12-16(17-7-5-6-8-21(17)30)9-18-14(2)19(10-26)24-23(18)15(3)20(11-27)25(28)29-24/h5-9,12H,4,13H2,1-3H3,(H2,28,29)

InChI Key

ULJXLJFIHZJCKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04024989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-3.77

Polar Surface Area

86.702

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 6243-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6243-0772?
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What is the minimum amount of 6243-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6243-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6243-0772
  • 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 6243-0772 available by request