K305-0262 Screening compound: 3-benzyl-1-[(4-chlorophenyl)methyl]-N,N-diethyl-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0262 Screening compound: 3-benzyl-1-[(4-chlorophenyl)methyl]-N,N-diethyl-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0262 Screening compound: 3-benzyl-1-[(4-chlorophenyl)methyl]-N,N-diethyl-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0262
3-benzyl-1-[(4-chlorophenyl)methyl]-N,N-diethyl-5-methyl-2,4-dioxo-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

K305-0262

Molecular Formula

C26H26ClN3O3S (C26 H26 ClN3 O3 S)

Compound Name

3-benzyl-1-[(4-chlorophenyl)methyl]-N,N-diethyl-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

3-benzyl-1-[(4-chlorophenyl)methyl]-NN-diethyl-5-methyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN(CC)C(c1c(C)c(C(N(Cc2ccccc2)C(N2Cc(cc3)ccc3Cl)=O)=O)c2s1)=O

InChI

InChI=1S/C26H26ClN3O3S/c1-4-28(5-2)24(32)22-17(3)21-23(31)29(15-18-9-7-6-8-10-18)26(33)30(25(21)34-22)16-19-11-13-20(27)14-12-19/h6-14H,4-5,15-16H2,1-3H3

InChI Key

UJRBDPNGPPTEHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

5.496

Water Solubility, LogSw

-6.03

Polar Surface Area

47.651

Acid Dissociation Constant (pKa)

26.46

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

K305-0262 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K305-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0262?
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What is the minimum amount of K305-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0262
  • 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 K305-0262 available by request