C688-1066 Screening compound: 3-(3,4-dimethylphenyl)-1-(2-methylbenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1066 Screening compound: 3-(3,4-dimethylphenyl)-1-(2-methylbenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1066 Screening compound: 3-(3,4-dimethylphenyl)-1-(2-methylbenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1066
3-(3,4-dimethylphenyl)-1-(2-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

C688-1066

Molecular Formula

C26H22N2O2S (C26 H22 N2 O2 S)

Compound Name

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

IUPAC name

5-(34-dimethylphenyl)-3-[(2-methylphenyl)methyl]-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraene-46-dione

SMILES

Cc(cc1)c(C)cc1N(C(c(sc1c2cccc1)c2N1Cc2c(C)cccc2)=O)C1=O

InChI

InChI=1S/C26H22N2O2S/c1-16-12-13-20(14-18(16)3)28-25(29)24-23(21-10-6-7-11-22(21)31-24)27(26(28)30)15-19-9-5-4-8-17(19)2/h4-14H,15H2,1-3H3

InChI Key

KVKSIHPKPLDQTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

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

6.848

Distribution Coefficient, logD

6.848

Water Solubility, LogSw

-5.79

Polar Surface Area

32.559

Acid Dissociation Constant (pKa)

27.51

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with C688-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1066?
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What is the minimum amount of C688-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1066
  • 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 C688-1066 available by request