C258-0460 Screening compound: 1-(2,4-dimethylbenzyl)-3-(4-ethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

C258-0460 Screening compound: 1-(2,4-dimethylbenzyl)-3-(4-ethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
C258-0460 Screening compound: 1-(2,4-dimethylbenzyl)-3-(4-ethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0460
1-(2,4-dimethylbenzyl)-3-(4-ethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

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

C258-0460

Molecular Formula

C26H26N2O2S (C26 H26 N2 O2 S)

Compound Name

1-(2,4-dimethylbenzyl)-3-(4-ethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

9-[(24-dimethylphenyl)methyl]-11-(4-ethylphenyl)-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)-diene-1012-dione

SMILES

CCc(cc1)ccc1N(C(c1c(N2Cc3c(C)cc(C)cc3)sc3c1CCC3)=O)C2=O

InChI

InChI=1S/C26H26N2O2S/c1-4-18-9-12-20(13-10-18)28-24(29)23-21-6-5-7-22(21)31-25(23)27(26(28)30)15-19-11-8-16(2)14-17(19)3/h8-14H,4-7,15H2,1-3H3

InChI Key

NEUYINSXZPTVOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.484

Distribution Coefficient, logD

6.484

Water Solubility, LogSw

-5.56

Polar Surface Area

31.394

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

-9.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C258-0460 in Drug Discovery

Included in Screening Libraries

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 C258-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0460?
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What is the minimum amount of C258-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0460
  • 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 C258-0460 available by request