K285-0136 Screening compound: ethyl 2-({[6-(ethoxycarbonyl)-2,4-dihydro-1,3-benzodioxin-8-yl]methyl}sulfanyl)-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-0136 Screening compound: ethyl 2-({[6-(ethoxycarbonyl)-2,4-dihydro-1,3-benzodioxin-8-yl]methyl}sulfanyl)-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-0136 Screening compound: ethyl 2-({[6-(ethoxycarbonyl)-2,4-dihydro-1,3-benzodioxin-8-yl]methyl}sulfanyl)-3-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-0136
ethyl 2-({[6-(ethoxycarbonyl)-2,4-dihydro-1,3-benzodioxin-8-yl]methyl}sulfanyl)-3-[(furan-2-yl)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

K285-0136

Molecular Formula

C27H26N2O8S2 (C27 H26 N2 O8 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(C(N(Cc2ccco2)C(SCc2c3OCOCc3cc(C(OCC)=O)c2)=N2)=O)c2s1)=O

InChI

InChI=1S/C27H26N2O8S2/c1-4-34-25(31)16-9-17-12-33-14-37-21(17)18(10-16)13-38-27-28-23-20(15(3)22(39-23)26(32)35-5-2)24(30)29(27)11-19-7-6-8-36-19/h6-10H,4-5,11-14H2,1-3H3

InChI Key

HYSHBJJPNBATDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.64

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.285

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-5.24

Polar Surface Area

91.819

Acid Dissociation Constant (pKa)

25.78

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K285-0136 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K285-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-0136?
Check Price and Availability of K285-0136, 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 K285-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-0136
  • 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 K285-0136 available by request