K305-0041 Screening compound: methyl 2-{2-[3-(3,4-dichlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate

K305-0041 Screening compound: methyl 2-{2-[3-(3,4-dichlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate
K305-0041 Screening compound: methyl 2-{2-[3-(3,4-dichlorophenyl)-6-(dimethylcarbamoyl)-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 K305-0041
methyl 2-{2-[3-(3,4-dichlorophenyl)-6-(dimethylcarbamoyl)-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

K305-0041

Molecular Formula

C26H22Cl2N4O6S (C26 H22 Cl2 N4 O6 S)

Compound Name

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

IUPAC name

methyl 2-{2-[3-(34-dichlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl]acetamido}benzoate

SMILES

Cc1c(C(N(C)C)=O)sc(N(CC(Nc(cccc2)c2C(OC)=O)=O)C(N2c(cc3)cc(Cl)c3Cl)=O)c1C2=O

InChI

InChI=1S/C26H22Cl2N4O6S/c1-13-20-22(34)32(14-9-10-16(27)17(28)11-14)26(37)31(24(20)39-21(13)23(35)30(2)3)12-19(33)29-18-8-6-5-7-15(18)25(36)38-4/h5-11H,12H2,1-4H3,(H,29,33)

InChI Key

ZZWQAWIUDLZGFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

3.608

Water Solubility, LogSw

-4.22

Polar Surface Area

90.733

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with K305-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0041?
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What is the minimum amount of K305-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0041
  • 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 K305-0041 available by request