5067-0777 Screening compound: methyl 5'-{[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino}-2,3'-bithiophene-4'-carboxylate

5067-0777 Screening compound: methyl 5'-{[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino}-2,3'-bithiophene-4'-carboxylate
5067-0777 Screening compound: methyl 5'-{[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino}-2,3'-bithiophene-4'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5067-0777
methyl 5'-{[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino}-2,3'-bithiophene-4'-carboxylate

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

5067-0777

Molecular Formula

C22H19N3O3S4 (C22 H19 N3 O3 S4)

Compound Name

methyl 5'-{[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino}-2,3'-bithiophene-4'-carboxylate

IUPAC name

methyl 5'-(2-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-ylsulfanyl}acetamido)-[23'-bithiophene]-4'-carboxylate

SMILES

COC(c1c(NC(CSc2c(c(CCCC3)c3s3)c3ncn2)=O)scc1-c1cccs1)=O

InChI

InChI=1S/C22H19N3O3S4/c1-28-22(27)18-13(14-7-4-8-29-14)9-30-21(18)25-16(26)10-31-19-17-12-5-2-3-6-15(12)32-20(17)24-11-23-19/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,25,26)

InChI Key

UDOFXROVRJMAKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03028201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.357

Water Solubility, LogSw

-5.51

Polar Surface Area

65.798

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

5067-0777 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 5067-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5067-0777?
Check Price and Availability of 5067-0777, 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 5067-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5067-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5067-0777
  • 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 5067-0777 available by request