C258-0466 Screening compound: 3-(4-ethylphenyl)-1-(4-nitrobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

C258-0466 Screening compound: 3-(4-ethylphenyl)-1-(4-nitrobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
C258-0466 Screening compound: 3-(4-ethylphenyl)-1-(4-nitrobenzyl)-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 C258-0466
3-(4-ethylphenyl)-1-(4-nitrobenzyl)-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

C258-0466

Molecular Formula

C24H21N3O4S (C24 H21 N3 O4 S)

Compound Name

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

IUPAC name

11-(4-ethylphenyl)-9-[(4-nitrophenyl)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(cc3)ccc3[N+]([O-])=O)sc3c1CCC3)=O)C2=O

InChI

InChI=1S/C24H21N3O4S/c1-2-15-6-10-17(11-7-15)26-22(28)21-19-4-3-5-20(19)32-23(21)25(24(26)29)14-16-8-12-18(13-9-16)27(30)31/h6-13H,2-5,14H2,1H3

InChI Key

RVOYQXSJTQMFCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.503

Distribution Coefficient, logD

5.503

Water Solubility, LogSw

-5.34

Polar Surface Area

64.775

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

-8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C258-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0466?
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What is the minimum amount of C258-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0466
  • 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 C258-0466 available by request