K285-0308 Screening compound: ethyl 5-methyl-4-oxo-3-(2-phenylethyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-0308 Screening compound: ethyl 5-methyl-4-oxo-3-(2-phenylethyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-0308 Screening compound: ethyl 5-methyl-4-oxo-3-(2-phenylethyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-0308
ethyl 5-methyl-4-oxo-3-(2-phenylethyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-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

K285-0308

Molecular Formula

C27H24F3N3O4S2 (C27 H24 F3 N3 O4 S2)

Compound Name

ethyl 5-methyl-4-oxo-3-(2-phenylethyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 5-methyl-4-oxo-3-(2-phenylethyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c(C(N(CCc2ccccc2)C(SCC(Nc2cc(C(F)(F)F)ccc2)=O)=N2)=O)c2s1)=O

InChI

InChI=1S/C27H24F3N3O4S2/c1-3-37-25(36)22-16(2)21-23(39-22)32-26(33(24(21)35)13-12-17-8-5-4-6-9-17)38-15-20(34)31-19-11-7-10-18(14-19)27(28,29)30/h4-11,14H,3,12-13,15H2,1-2H3,(H,31,34)

InChI Key

SVLGEVNLOAMVDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.106

Distribution Coefficient, logD

6.106

Water Solubility, LogSw

-5.60

Polar Surface Area

69.555

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K285-0308 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K285-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-0308?
Check Price and Availability of K285-0308, 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 K285-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-0308
  • 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 K285-0308 available by request