C688-1264 Screening compound: 3-(5-chloro-2-methylphenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1264 Screening compound: 3-(5-chloro-2-methylphenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1264 Screening compound: 3-(5-chloro-2-methylphenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1264
3-(5-chloro-2-methylphenyl)-1-propyl[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

C688-1264

Molecular Formula

C20H17ClN2O2S (C20 H17 ClN2 O2 S)

Compound Name

3-(5-chloro-2-methylphenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

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

SMILES

CCCN(c1c(C(N2c3c(C)ccc(Cl)c3)=O)sc3c1cccc3)C2=O

InChI

InChI=1S/C20H17ClN2O2S/c1-3-10-22-17-14-6-4-5-7-16(14)26-18(17)19(24)23(20(22)25)15-11-13(21)9-8-12(15)2/h4-9,11H,3,10H2,1-2H3

InChI Key

IMIMGDRHRXGSTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.89

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

5.562

Distribution Coefficient, logD

5.562

Water Solubility, LogSw

-5.82

Polar Surface Area

32.508

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C688-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1264?
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What is the minimum amount of C688-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1264
  • 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 C688-1264 available by request