C258-0575 Screening compound: 3-(4-ethoxyphenyl)-1-(2-methylbenzyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

C258-0575 Screening compound: 3-(4-ethoxyphenyl)-1-(2-methylbenzyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
C258-0575 Screening compound: 3-(4-ethoxyphenyl)-1-(2-methylbenzyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0575
3-(4-ethoxyphenyl)-1-(2-methylbenzyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[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

C258-0575

Molecular Formula

C27H28N2O3S (C27 H28 N2 O3 S)

Compound Name

3-(4-ethoxyphenyl)-1-(2-methylbenzyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

4-(4-ethoxyphenyl)-6-[(2-methylphenyl)methyl]-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)-diene-35-dione

SMILES

CCOc(cc1)ccc1N(C(c1c(N2Cc3c(C)cccc3)sc3c1CCCCC3)=O)C2=O

InChI

InChI=1S/C27H28N2O3S/c1-3-32-21-15-13-20(14-16-21)29-25(30)24-22-11-5-4-6-12-23(22)33-26(24)28(27(29)31)17-19-10-8-7-9-18(19)2/h7-10,13-16H,3-6,11-12,17H2,1-2H3

InChI Key

LCFJVISZNBYVHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.540

Distribution Coefficient, logD

6.540

Water Solubility, LogSw

-5.56

Polar Surface Area

38.482

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C258-0575 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C258-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0575?
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What is the minimum amount of C258-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0575
  • 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 C258-0575 available by request