5205-0011 Screening compound: ethyl 3-benzyl-5-methyl-2-[4-(methylsulfanyl)phenyl]-4-oxo-1H,2H,3H,4H-thieno[3,4-d]pyrimidine-7-carboxylate

5205-0011 Screening compound: ethyl 3-benzyl-5-methyl-2-[4-(methylsulfanyl)phenyl]-4-oxo-1H,2H,3H,4H-thieno[3,4-d]pyrimidine-7-carboxylate
5205-0011 Screening compound: ethyl 3-benzyl-5-methyl-2-[4-(methylsulfanyl)phenyl]-4-oxo-1H,2H,3H,4H-thieno[3,4-d]pyrimidine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5205-0011
ethyl 3-benzyl-5-methyl-2-[4-(methylsulfanyl)phenyl]-4-oxo-1H,2H,3H,4H-thieno[3,4-d]pyrimidine-7-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

5205-0011

Molecular Formula

C24H24N2O3S2 (C24 H24 N2 O3 S2)

Compound Name

ethyl 3-benzyl-5-methyl-2-[4-(methylsulfanyl)phenyl]-4-oxo-1H,2H,3H,4H-thieno[3,4-d]pyrimidine-7-carboxylate

IUPAC name

ethyl 3-benzyl-5-methyl-2-[4-(methylsulfanyl)phenyl]-4-oxo-1H2H3H4H-thieno[34-d]pyrimidine-7-carboxylate

SMILES

CCOC(c(sc(C)c12)c2NC(c(cc2)ccc2SC)N(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C24H24N2O3S2/c1-4-29-24(28)21-20-19(15(2)31-21)23(27)26(14-16-8-6-5-7-9-16)22(25-20)17-10-12-18(30-3)13-11-17/h5-13,22,25H,4,14H2,1-3H3/t22-/m1/s1

InChI Key

CKHYXULGLWBZDM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03448626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.141

Distribution Coefficient, logD

5.141

Water Solubility, LogSw

-5.14

Polar Surface Area

46.863

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-6.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5205-0011 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 5205-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5205-0011?
Check Price and Availability of 5205-0011, 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 5205-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5205-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5205-0011
  • 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 5205-0011 available by request