C688-1236 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-(3-methylbenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1236 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-(3-methylbenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1236 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-(3-methylbenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1236
3-(3-chloro-4-fluorophenyl)-1-(3-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

C688-1236

Molecular Formula

C24H16ClFN2O2S (C24 H16 ClFN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN(c2c(C(N3c(cc4)cc(Cl)c4F)=O)sc4c2cccc4)C3=O)c1

InChI

InChI=1S/C24H16ClFN2O2S/c1-14-5-4-6-15(11-14)13-27-21-17-7-2-3-8-20(17)31-22(21)23(29)28(24(27)30)16-9-10-19(26)18(25)12-16/h2-12H,13H2,1H3

InChI Key

HPMVVWHQCYUHSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.92

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

6.338

Distribution Coefficient, logD

6.338

Water Solubility, LogSw

-6.18

Polar Surface Area

32.559

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with C688-1236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1236?
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What is the minimum amount of C688-1236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1236
  • 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 C688-1236 available by request