5128-0763 Screening compound: methyl 2-(5-{[(5Z)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}furan-2-yl)benzoate

5128-0763 Screening compound: methyl 2-(5-{[(5Z)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}furan-2-yl)benzoate
5128-0763 Screening compound: methyl 2-(5-{[(5Z)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5128-0763
methyl 2-(5-{[(5Z)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene]methyl}furan-2-yl)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

5128-0763

Molecular Formula

C25H18N4O3 (C25 H18 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/c1c(C)c(C#N)c(N)nc11)=C/c2ccc(-c(cccc3)c3C(OC)=O)o2)=C1C#N

InChI

InChI=1S/C25H18N4O3/c1-13-18(22-14(2)20(12-27)24(28)29-23(22)19(13)11-26)10-15-8-9-21(32-15)16-6-4-5-7-17(16)25(30)31-3/h4-10H,1-3H3,(H2,28,29)

InChI Key

IVZIFLIUJOJJIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03700037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.161

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-4.74

Polar Surface Area

93.283

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

-6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

5128-0763 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 5128-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5128-0763?
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What is the minimum amount of 5128-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5128-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5128-0763
  • 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 5128-0763 available by request