K305-0408 Screening compound: 3-benzyl-1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0408 Screening compound: 3-benzyl-1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0408 Screening compound: 3-benzyl-1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0408
3-benzyl-1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-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

K305-0408

Molecular Formula

C25H22N4O3S (C25 H22 N4 O3 S)

Compound Name

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

IUPAC name

3-benzyl-1-[(2-cyanophenyl)methyl]-NN5-trimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(N(C)C)=O)sc(N(Cc(cccc2)c2C#N)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C25H22N4O3S/c1-16-20-22(30)28(14-17-9-5-4-6-10-17)25(32)29(15-19-12-8-7-11-18(19)13-26)24(20)33-21(16)23(31)27(2)3/h4-12H,14-15H2,1-3H3

InChI Key

JNRPYXAUBKTBKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.513

Distribution Coefficient, logD

3.513

Water Solubility, LogSw

-3.85

Polar Surface Area

64.775

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K305-0408 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K305-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0408?
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What is the minimum amount of K305-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0408
  • 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 K305-0408 available by request