4555-3384 Screening compound: N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-3-{[2-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)ethyl]sulfanyl}propanamide

4555-3384 Screening compound: N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-3-{[2-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)ethyl]sulfanyl}propanamide
4555-3384 Screening compound: N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-3-{[2-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)ethyl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4555-3384
N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-3-{[2-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)ethyl]sulfanyl}propanamide

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

4555-3384

Molecular Formula

C22H22N4O2S3 (C22 H22 N4 O2 S3)

Compound Name

N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-3-{[2-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)ethyl]sulfanyl}propanamide

IUPAC name

N-{3-cyano-4H5H6H-cyclopenta[b]thiophen-2-yl}-3-{[2-({3-cyano-4H5H6H-cyclopenta[b]thiophen-2-yl}carbamoyl)ethyl]sulfanyl}propanamide

SMILES

N#Cc1c(NC(CCSCCC(Nc(sc2c3CCC2)c3C#N)=O)=O)sc2c1CCC2

InChI

InChI=1S/C22H22N4O2S3/c23-11-15-13-3-1-5-17(13)30-21(15)25-19(27)7-9-29-10-8-20(28)26-22-16(12-24)14-4-2-6-18(14)31-22/h1-10H2,(H,25,27)(H,26,28)

InChI Key

DNSACGJBHOPBMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03028656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.541

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-3.98

Polar Surface Area

80.540

Acid Dissociation Constant (pKa)

6.28

Base Dissociation Constant (pKb)

-5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

4555-3384 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4555-3384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4555-3384?
Check Price and Availability of 4555-3384, 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 4555-3384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4555-3384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4555-3384
  • 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 4555-3384 available by request