K285-0457 Screening compound: ethyl 2-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-0457 Screening compound: ethyl 2-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-0457 Screening compound: ethyl 2-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-0457
ethyl 2-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-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

K285-0457

Molecular Formula

C22H22F2N2O4S2 (C22 H22 F2 N2 O4 S2)

Compound Name

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

IUPAC name

ethyl 2-{[(25-difluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c(C(N(CC2OCCC2)C(SCc(cc(cc2)F)c2F)=N2)=O)c2s1)=O

InChI

InChI=1S/C22H22F2N2O4S2/c1-3-29-21(28)18-12(2)17-19(32-18)25-22(26(20(17)27)10-15-5-4-8-30-15)31-11-13-9-14(23)6-7-16(13)24/h6-7,9,15H,3-5,8,10-11H2,1-2H3/t15-/m1/s1

InChI Key

DJSXEBMZBQGTRM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD15089948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.502

Distribution Coefficient, logD

4.502

Water Solubility, LogSw

-4.46

Polar Surface Area

55.081

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

K285-0457 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K285-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-0457?
Check Price and Availability of K285-0457, 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 K285-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-0457
  • 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 K285-0457 available by request