K305-0196 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-N,N,5-trimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0196 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-N,N,5-trimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0196 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-N,N,5-trimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0196
1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-N,N,5-trimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

K305-0196

Molecular Formula

C25H23ClN4O5S (C25 H23 ClN4 O5 S)

Compound Name

1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-N,N,5-trimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-NN5-trimethyl-24-dioxo-3-phenyl-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(N(C)C)=O)sc(N(CC(Nc(cc(cc2)Cl)c2OC)=O)C(N2c3ccccc3)=O)c1C2=O

InChI

InChI=1S/C25H23ClN4O5S/c1-14-20-22(32)30(16-8-6-5-7-9-16)25(34)29(24(20)36-21(14)23(33)28(2)3)13-19(31)27-17-12-15(26)10-11-18(17)35-4/h5-12H,13H2,1-4H3,(H,27,31)

InChI Key

ZJAKDCOUBKKHPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.682

Water Solubility, LogSw

-3.78

Polar Surface Area

77.190

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K305-0196 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 K305-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0196?
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What is the minimum amount of K305-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0196
  • 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 K305-0196 available by request