C728-0719 Screening compound: 7-acetyl-3-(3-chloro-2-methylphenyl)-1-(2-fluorobenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C728-0719 Screening compound: 7-acetyl-3-(3-chloro-2-methylphenyl)-1-(2-fluorobenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C728-0719 Screening compound: 7-acetyl-3-(3-chloro-2-methylphenyl)-1-(2-fluorobenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C728-0719
7-acetyl-3-(3-chloro-2-methylphenyl)-1-(2-fluorobenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-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

C728-0719

Molecular Formula

C25H21ClFN3O3S (C25 H21 ClFN3 O3 S)

Compound Name

7-acetyl-3-(3-chloro-2-methylphenyl)-1-(2-fluorobenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

11-acetyl-4-(3-chloro-2-methylphenyl)-6-[(2-fluorophenyl)methyl]-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(N(CC1)Cc2c1c(C(N(c1cccc(Cl)c1C)C(N1Cc(cccc3)c3F)=O)=O)c1s2)=O

InChI

InChI=1S/C25H21ClFN3O3S/c1-14-18(26)7-5-9-20(14)30-23(32)22-17-10-11-28(15(2)31)13-21(17)34-24(22)29(25(30)33)12-16-6-3-4-8-19(16)27/h3-9H,10-13H2,1-2H3

InChI Key

PKQUIZUIKHBZAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.909

Distribution Coefficient, logD

4.909

Water Solubility, LogSw

-5.07

Polar Surface Area

47.856

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C728-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C728-0719?
Check Price and Availability of C728-0719, 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 C728-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C728-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C728-0719
  • 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 C728-0719 available by request