C688-1208 Screening compound: 3-(2-chlorophenyl)-1-(4-methylbenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1208 Screening compound: 3-(2-chlorophenyl)-1-(4-methylbenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1208 Screening compound: 3-(2-chlorophenyl)-1-(4-methylbenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1208
3-(2-chlorophenyl)-1-(4-methylbenzyl)[1]benzothieno[3,2-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

C688-1208

Molecular Formula

C24H17ClN2O2S (C24 H17 ClN2 O2 S)

Compound Name

3-(2-chlorophenyl)-1-(4-methylbenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

5-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraene-46-dione

SMILES

Cc1ccc(CN(c2c(C(N3c(cccc4)c4Cl)=O)sc4c2cccc4)C3=O)cc1

InChI

InChI=1S/C24H17ClN2O2S/c1-15-10-12-16(13-11-15)14-26-21-17-6-2-5-9-20(17)30-22(21)23(28)27(24(26)29)19-8-4-3-7-18(19)25/h2-13H,14H2,1H3

InChI Key

IMBGDZJKFBOQAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.93

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

6.126

Distribution Coefficient, logD

6.126

Water Solubility, LogSw

-5.99

Polar Surface Area

32.258

Acid Dissociation Constant (pKa)

27.48

Base Dissociation Constant (pKb)

-5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with C688-1208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1208?
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What is the minimum amount of C688-1208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1208
  • 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 C688-1208 available by request