K305-0254 Screening compound: N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-(2-phenylethyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0254 Screening compound: N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-(2-phenylethyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0254 Screening compound: N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-(2-phenylethyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0254
N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-(2-phenylethyl)-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

K305-0254

Molecular Formula

C27H28N4O5S (C27 H28 N4 O5 S)

Compound Name

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

IUPAC name

NN-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-24-dioxo-3-(2-phenylethyl)-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN(CC)C(c1c(C)c(C(N(CCc2ccccc2)C(N2Cc3cc([N+]([O-])=O)ccc3)=O)=O)c2s1)=O

InChI

InChI=1S/C27H28N4O5S/c1-4-28(5-2)25(33)23-18(3)22-24(32)29(15-14-19-10-7-6-8-11-19)27(34)30(26(22)37-23)17-20-12-9-13-21(16-20)31(35)36/h6-13,16H,4-5,14-15,17H2,1-3H3

InChI Key

BEWHKXXEQCGWDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.918

Distribution Coefficient, logD

4.918

Water Solubility, LogSw

-4.81

Polar Surface Area

81.010

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

K305-0254 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K305-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0254?
Check Price and Availability of K305-0254, 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 K305-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0254
  • 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 K305-0254 available by request