K285-5057 Screening compound: ethyl 2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-5057 Screening compound: ethyl 2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-5057 Screening compound: ethyl 2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-5057
ethyl 2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-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

K285-5057

Molecular Formula

C24H21FN2O5S3 (C24 H21 FN2 O5 S3)

Compound Name

ethyl 2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-{[(6-fluoro-24-dihydro-13-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c(C(N(Cc2cccs2)C(SCc2c3OCOCc3cc(F)c2)=N2)=O)c2s1)=O

InChI

InChI=1S/C24H21FN2O5S3/c1-3-31-23(29)20-13(2)18-21(35-20)26-24(27(22(18)28)9-17-5-4-6-33-17)34-11-15-8-16(25)7-14-10-30-12-32-19(14)15/h4-8H,3,9-12H2,1-2H3

InChI Key

TXCXPNBAPQKITN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.417

Distribution Coefficient, logD

5.417

Water Solubility, LogSw

-5.42

Polar Surface Area

64.334

Acid Dissociation Constant (pKa)

25.39

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

K285-5057 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K285-5057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-5057?
Check Price and Availability of K285-5057, 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 K285-5057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-5057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-5057
  • 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 K285-5057 available by request