C688-1330 Screening compound: 1-benzyl-3-(3-chlorophenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1330 Screening compound: 1-benzyl-3-(3-chlorophenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1330 Screening compound: 1-benzyl-3-(3-chlorophenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1330
1-benzyl-3-(3-chlorophenyl)[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

C688-1330

Molecular Formula

C23H15ClN2O2S (C23 H15 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(sc1c2cccc1)c2N1Cc2ccccc2)N(c2cccc(Cl)c2)C1=O

InChI

InChI=1S/C23H15ClN2O2S/c24-16-9-6-10-17(13-16)26-22(27)21-20(18-11-4-5-12-19(18)29-21)25(23(26)28)14-15-7-2-1-3-8-15/h1-13H,14H2

InChI Key

HNHGFHJRGJJICL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.9

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

5.736

Distribution Coefficient, logD

5.736

Water Solubility, LogSw

-5.97

Polar Surface Area

32.559

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C688-1330 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C688-1330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1330?
Check Price and Availability of C688-1330, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C688-1330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1330
  • 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 C688-1330 available by request