C258-0302 Screening compound: 1-(2,4-dimethylbenzyl)-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C258-0302 Screening compound: 1-(2,4-dimethylbenzyl)-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C258-0302 Screening compound: 1-(2,4-dimethylbenzyl)-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0302
1-(2,4-dimethylbenzyl)-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,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

C258-0302

Molecular Formula

C26H26N2O3S (C26 H26 N2 O3 S)

Compound Name

1-(2,4-dimethylbenzyl)-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

6-[(24-dimethylphenyl)methyl]-4-(3-methoxyphenyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

Cc1cc(C)c(CN(c(sc2c3CCCC2)c3C(N2c3cc(OC)ccc3)=O)C2=O)cc1

InChI

InChI=1S/C26H26N2O3S/c1-16-11-12-18(17(2)13-16)15-27-25-23(21-9-4-5-10-22(21)32-25)24(29)28(26(27)30)19-7-6-8-20(14-19)31-3/h6-8,11-14H,4-5,9-10,15H2,1-3H3

InChI Key

ISGGHMQGHYBSOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.128

Distribution Coefficient, logD

6.128

Water Solubility, LogSw

-5.31

Polar Surface Area

38.571

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C258-0302 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C258-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0302?
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What is the minimum amount of C258-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0302
  • 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 C258-0302 available by request