K285-0182 Screening compound: ethyl 2-{[(benzylcarbamoyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-0182 Screening compound: ethyl 2-{[(benzylcarbamoyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-0182 Screening compound: ethyl 2-{[(benzylcarbamoyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-0182
ethyl 2-{[(benzylcarbamoyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-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

K285-0182

Molecular Formula

C27H27N3O5S2 (C27 H27 N3 O5 S2)

Compound Name

ethyl 2-{[(benzylcarbamoyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-{[(benzylcarbamoyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c(C(N(Cc(cc2)ccc2OC)C(SCC(NCc2ccccc2)=O)=N2)=O)c2s1)=O

InChI

InChI=1S/C27H27N3O5S2/c1-4-35-26(33)23-17(2)22-24(37-23)29-27(36-16-21(31)28-14-18-8-6-5-7-9-18)30(25(22)32)15-19-10-12-20(34-3)13-11-19/h5-13H,4,14-16H2,1-3H3,(H,28,31)

InChI Key

PGGGSFHQBORRTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.627

Distribution Coefficient, logD

4.627

Water Solubility, LogSw

-4.46

Polar Surface Area

78.442

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K285-0182 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K285-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-0182?
Check Price and Availability of K285-0182, 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 K285-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-0182
  • 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 K285-0182 available by request