C258-0387 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(mesitylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C258-0387 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(mesitylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C258-0387 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(mesitylmethyl)-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 C258-0387
3-(2,4-dimethoxyphenyl)-1-(mesitylmethyl)-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

C258-0387

Molecular Formula

C28H30N2O4S (C28 H30 N2 O4 S)

Compound Name

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

IUPAC name

4-(24-dimethoxyphenyl)-6-[(246-trimethylphenyl)methyl]-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(N2c(ccc(OC)c3)c3OC)=O)C2=O)c(C)c1

InChI

InChI=1S/C28H30N2O4S/c1-16-12-17(2)21(18(3)13-16)15-29-27-25(20-8-6-7-9-24(20)35-27)26(31)30(28(29)32)22-11-10-19(33-4)14-23(22)34-5/h10-14H,6-9,15H2,1-5H3

InChI Key

IHUGNEWSJBZYMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.677

Distribution Coefficient, logD

6.677

Water Solubility, LogSw

-5.69

Polar Surface Area

45.901

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

C258-0387 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C258-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0387?
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What is the minimum amount of C258-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0387
  • 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 C258-0387 available by request