C688-1240 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1240 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1240 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-propyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1240
3-(3-chloro-4-fluorophenyl)-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

C688-1240

Molecular Formula

C19H14ClFN2O2S (C19 H14 ClFN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(c1c(C(N2c(cc3)cc(Cl)c3F)=O)sc3c1cccc3)C2=O

InChI

InChI=1S/C19H14ClFN2O2S/c1-2-9-22-16-12-5-3-4-6-15(12)26-17(16)18(24)23(19(22)25)11-7-8-14(21)13(20)10-11/h3-8,10H,2,9H2,1H3

InChI Key

GPOTUWBBUALGMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.85

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

4.879

Distribution Coefficient, logD

4.879

Water Solubility, LogSw

-4.98

Polar Surface Area

32.809

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C688-1240 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C688-1240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1240?
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What is the minimum amount of C688-1240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1240
  • 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 C688-1240 available by request