C200-0726 Screening compound: 6-acetyl-3-(4-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5-methyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

C200-0726 Screening compound: 6-acetyl-3-(4-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5-methyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
C200-0726 Screening compound: 6-acetyl-3-(4-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5-methyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-0726
6-acetyl-3-(4-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5-methyl-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

C200-0726

Molecular Formula

C22H16ClFN2O3S (C22 H16 ClFN2 O3 S)

Compound Name

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

IUPAC name

6-acetyl-3-(4-chlorophenyl)-1-[(3-fluorophenyl)methyl]-5-methyl-1H2H3H4H-thieno[23-d]pyrimidine-24-dione

SMILES

CC(c1c(C)c(C(N(c(cc2)ccc2Cl)C(N2Cc3cc(F)ccc3)=O)=O)c2s1)=O

InChI

InChI=1S/C22H16ClFN2O3S/c1-12-18-20(28)26(17-8-6-15(23)7-9-17)22(29)25(21(18)30-19(12)13(2)27)11-14-4-3-5-16(24)10-14/h3-10H,11H2,1-2H3

InChI Key

URBNRHGDRGCUAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.639

Distribution Coefficient, logD

4.639

Water Solubility, LogSw

-5.06

Polar Surface Area

44.934

Acid Dissociation Constant (pKa)

20.49

Base Dissociation Constant (pKb)

-12.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C200-0726 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C200-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-0726?
Check Price and Availability of C200-0726, 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 C200-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-0726
  • 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 C200-0726 available by request