K285-5091 Screening compound: ethyl 2-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-5091 Screening compound: ethyl 2-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-5091 Screening compound: ethyl 2-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-5091
ethyl 2-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-5-methyl-3-[(4-methylphenyl)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

K285-5091

Molecular Formula

C28H30N4O4S2 (C28 H30 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(C(N(Cc2ccc(C)cc2)C(SCC(Nc(cc2)ccc2N(C)C)=O)=N2)=O)c2s1)=O

InChI

InChI=1S/C28H30N4O4S2/c1-6-36-27(35)24-18(3)23-25(38-24)30-28(32(26(23)34)15-19-9-7-17(2)8-10-19)37-16-22(33)29-20-11-13-21(14-12-20)31(4)5/h7-14H,6,15-16H2,1-5H3,(H,29,33)

InChI Key

BHFFYUGXGCTVRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.477

Distribution Coefficient, logD

5.469

Water Solubility, LogSw

-5.41

Polar Surface Area

72.381

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with K285-5091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-5091?
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What is the minimum amount of K285-5091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-5091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-5091
  • 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 K285-5091 available by request