K305-0356 Screening compound: ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate

K305-0356 Screening compound: ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate
K305-0356 Screening compound: ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0356
ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate

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

K305-0356

Molecular Formula

C27H25FN4O6S (C27 H25 FN4 O6 S)

Compound Name

ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[6-(dimethylcarbamoyl)-3-(4-fluorophenyl)-5-methyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(c(sc(C(N(C)C)=O)c1C)c1C(N1c(cc2)ccc2F)=O)C1=O)=O)=O

InChI

InChI=1S/C27H25FN4O6S/c1-5-38-26(36)18-8-6-7-9-19(18)29-20(33)14-31-25-21(15(2)22(39-25)24(35)30(3)4)23(34)32(27(31)37)17-12-10-16(28)11-13-17/h6-13H,5,14H2,1-4H3,(H,29,33)

InChI Key

LPVMICPZMHSXHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.850

Distribution Coefficient, logD

2.842

Water Solubility, LogSw

-3.37

Polar Surface Area

90.313

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K305-0356 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K305-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0356?
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What is the minimum amount of K305-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0356
  • 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 K305-0356 available by request