C258-0469 Screening compound: 3-(4-ethylphenyl)-1-(mesitylmethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

C258-0469 Screening compound: 3-(4-ethylphenyl)-1-(mesitylmethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
C258-0469 Screening compound: 3-(4-ethylphenyl)-1-(mesitylmethyl)-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 C258-0469
3-(4-ethylphenyl)-1-(mesitylmethyl)-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

C258-0469

Molecular Formula

C27H28N2O2S (C27 H28 N2 O2 S)

Compound Name

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

IUPAC name

11-(4-ethylphenyl)-9-[(246-trimethylphenyl)methyl]-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)cc3C)sc3c1CCC3)=O)C2=O

InChI

InChI=1S/C27H28N2O2S/c1-5-19-9-11-20(12-10-19)29-25(30)24-21-7-6-8-23(21)32-26(24)28(27(29)31)15-22-17(3)13-16(2)14-18(22)4/h9-14H,5-8,15H2,1-4H3

InChI Key

RSDGXYGTCSINMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

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

6.994

Distribution Coefficient, logD

6.994

Water Solubility, LogSw

-5.67

Polar Surface Area

31.394

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

-10.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C258-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0469?
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What is the minimum amount of C258-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0469
  • 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 C258-0469 available by request