5055-7505 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide

5055-7505 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide
5055-7505 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-7505
N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide

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

5055-7505

Molecular Formula

C20H20N4OS3 (C20 H20 N4 OS3)

Compound Name

N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide

IUPAC name

N-{3-cyano-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl}-2-({56-dimethylthieno[23-d]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

Cc1c(C)sc2c1c(SCC(Nc(sc1c3CCCCC1)c3C#N)=O)ncn2

InChI

InChI=1S/C20H20N4OS3/c1-11-12(2)27-20-17(11)19(22-10-23-20)26-9-16(25)24-18-14(8-21)13-6-4-3-5-7-15(13)28-18/h10H,3-7,9H2,1-2H3,(H,24,25)

InChI Key

QFUJEGWHMGYJGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.096

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.88

Polar Surface Area

61.264

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

5055-7505 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5055-7505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-7505?
Check Price and Availability of 5055-7505, 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 5055-7505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-7505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-7505
  • 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 5055-7505 available by request