5128-0640 Screening compound: (5Z)-2-amino-4,6-dimethyl-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile

5128-0640 Screening compound: (5Z)-2-amino-4,6-dimethyl-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
5128-0640 Screening compound: (5Z)-2-amino-4,6-dimethyl-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5128-0640
(5Z)-2-amino-4,6-dimethyl-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}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

5128-0640

Molecular Formula

C24H18N4OS (C24 H18 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/c1c(C)c(C#N)c(N)nc11)=C/c(o2)ccc2Sc2ccc(C)cc2)=C1C#N

InChI

InChI=1S/C24H18N4OS/c1-13-4-7-17(8-5-13)30-21-9-6-16(29-21)10-18-14(2)19(11-25)23-22(18)15(3)20(12-26)24(27)28-23/h4-10H,1-3H3,(H2,27,28)

InChI Key

JCUYABSMZSTIAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06253102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.654

Distribution Coefficient, logD

5.654

Water Solubility, LogSw

-5.73

Polar Surface Area

72.330

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

-6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

5128-0640 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5128-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5128-0640?
Check Price and Availability of 5128-0640, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5128-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5128-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5128-0640
  • 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 5128-0640 available by request