C242-0752 Screening compound: 1-[(2-chlorophenyl)methyl]-5,6-dimethyl-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

C242-0752 Screening compound: 1-[(2-chlorophenyl)methyl]-5,6-dimethyl-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
C242-0752 Screening compound: 1-[(2-chlorophenyl)methyl]-5,6-dimethyl-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0752
1-[(2-chlorophenyl)methyl]-5,6-dimethyl-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-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

C242-0752

Molecular Formula

C21H17ClN2O2S (C21 H17 ClN2 O2 S)

Compound Name

1-[(2-chlorophenyl)methyl]-5,6-dimethyl-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

IUPAC name

1-[(2-chlorophenyl)methyl]-56-dimethyl-3-phenyl-1H2H3H4H-thieno[23-d]pyrimidine-24-dione

SMILES

Cc1c(C)sc(N(Cc(cccc2)c2Cl)C(N2c3ccccc3)=O)c1C2=O

InChI

InChI=1S/C21H17ClN2O2S/c1-13-14(2)27-20-18(13)19(25)24(16-9-4-3-5-10-16)21(26)23(20)12-15-8-6-7-11-17(15)22/h3-11H,12H2,1-2H3

InChI Key

ICJCIGAYNPCEHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.9

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

4.961

Distribution Coefficient, logD

4.961

Water Solubility, LogSw

-5.10

Polar Surface Area

31.107

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

-9.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C242-0752 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 C242-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-0752?
Check Price and Availability of C242-0752, 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 C242-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0752
  • 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 C242-0752 available by request