C258-0703 Screening compound: 3-(3,4-dichlorophenyl)-1-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C258-0703 Screening compound: 3-(3,4-dichlorophenyl)-1-(2-methylbenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C258-0703 Screening compound: 3-(3,4-dichlorophenyl)-1-(2-methylbenzyl)-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 C258-0703
3-(3,4-dichlorophenyl)-1-(2-methylbenzyl)-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

C258-0703

Molecular Formula

C24H20Cl2N2O2S (C24 H20 Cl2 N2 O2 S)

Compound Name

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

IUPAC name

4-(34-dichlorophenyl)-6-[(2-methylphenyl)methyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

Cc1c(CN(c(sc2c3CCCC2)c3C(N2c(cc3)cc(Cl)c3Cl)=O)C2=O)cccc1

InChI

InChI=1S/C24H20Cl2N2O2S/c1-14-6-2-3-7-15(14)13-27-23-21(17-8-4-5-9-20(17)31-23)22(29)28(24(27)30)16-10-11-18(25)19(26)12-16/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3

InChI Key

NNWJHDRUHHNXIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.014

Distribution Coefficient, logD

7.014

Water Solubility, LogSw

-6.52

Polar Surface Area

31.028

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-11.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C258-0703 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C258-0703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0703?
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What is the minimum amount of C258-0703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0703
  • 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 C258-0703 available by request