K895-0327 Screening compound: ethyl 2-{5-methyl-4-[methyl(phenyl)amino]thieno[2,3-d]pyrimidine-6-amido}benzoate

K895-0327 Screening compound: ethyl 2-{5-methyl-4-[methyl(phenyl)amino]thieno[2,3-d]pyrimidine-6-amido}benzoate
K895-0327 Screening compound: ethyl 2-{5-methyl-4-[methyl(phenyl)amino]thieno[2,3-d]pyrimidine-6-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K895-0327
ethyl 2-{5-methyl-4-[methyl(phenyl)amino]thieno[2,3-d]pyrimidine-6-amido}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

K895-0327

Molecular Formula

C24H22N4O3S (C24 H22 N4 O3 S)

Compound Name

ethyl 2-{5-methyl-4-[methyl(phenyl)amino]thieno[2,3-d]pyrimidine-6-amido}benzoate

IUPAC name

ethyl 2-{5-methyl-4-[methyl(phenyl)amino]thieno[23-d]pyrimidine-6-amido}benzoate

SMILES

CCOC(c(cccc1)c1NC(c1c(C)c2c(N(C)c3ccccc3)ncnc2s1)=O)=O

InChI

InChI=1S/C24H22N4O3S/c1-4-31-24(30)17-12-8-9-13-18(17)27-22(29)20-15(2)19-21(25-14-26-23(19)32-20)28(3)16-10-6-5-7-11-16/h5-14H,4H2,1-3H3,(H,27,29)

InChI Key

JUBJBRUFVKFLEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.058

Distribution Coefficient, logD

4.331

Water Solubility, LogSw

-4.80

Polar Surface Area

66.406

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K895-0327 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K895-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K895-0327?
Check Price and Availability of K895-0327, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K895-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K895-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K895-0327
  • 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 K895-0327 available by request