K833-0113 Screening compound: 4-acetylphenyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K833-0113 Screening compound: 4-acetylphenyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K833-0113 Screening compound: 4-acetylphenyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K833-0113
4-acetylphenyl 3-[(2-fluorophenyl)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

K833-0113

Molecular Formula

C23H17FN2O4S (C23 H17 FN2 O4 S)

Compound Name

4-acetylphenyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

4-acetylphenyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CC(c(cc1)ccc1OC(c1c(C)c(C(N(Cc(cccc2)c2F)C=N2)=O)c2s1)=O)=O

InChI

InChI=1S/C23H17FN2O4S/c1-13-19-21(25-12-26(22(19)28)11-16-5-3-4-6-18(16)24)31-20(13)23(29)30-17-9-7-15(8-10-17)14(2)27/h3-10,12H,11H2,1-2H3

InChI Key

LXMCBPJOBZKWFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.18

Polar Surface Area

60.446

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K833-0113 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K833-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K833-0113?
Check Price and Availability of K833-0113, 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 K833-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K833-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K833-0113
  • 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 K833-0113 available by request