C258-0461 Screening compound: 3-(4-ethylphenyl)-1-(2-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

C258-0461 Screening compound: 3-(4-ethylphenyl)-1-(2-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
C258-0461 Screening compound: 3-(4-ethylphenyl)-1-(2-fluorobenzyl)-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 C258-0461
3-(4-ethylphenyl)-1-(2-fluorobenzyl)-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

C258-0461

Molecular Formula

C24H21FN2O2S (C24 H21 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(c1c(N2Cc(cccc3)c3F)sc3c1CCC3)=O)C2=O

InChI

InChI=1S/C24H21FN2O2S/c1-2-15-10-12-17(13-11-15)27-22(28)21-18-7-5-9-20(18)30-23(21)26(24(27)29)14-16-6-3-4-8-19(16)25/h3-4,6,8,10-13H,2,5,7,9,14H2,1H3

InChI Key

WECBAYSSTZUKLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

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

5.717

Distribution Coefficient, logD

5.717

Water Solubility, LogSw

-5.41

Polar Surface Area

31.394

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

-9.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C258-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0461?
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What is the minimum amount of C258-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0461
  • 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 C258-0461 available by request