C728-0404 Screening compound: 7-acetyl-3-(3-acetylphenyl)-1-[3-(trifluoromethyl)benzyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C728-0404 Screening compound: 7-acetyl-3-(3-acetylphenyl)-1-[3-(trifluoromethyl)benzyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C728-0404 Screening compound: 7-acetyl-3-(3-acetylphenyl)-1-[3-(trifluoromethyl)benzyl]-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 C728-0404
7-acetyl-3-(3-acetylphenyl)-1-[3-(trifluoromethyl)benzyl]-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

C728-0404

Molecular Formula

C27H22F3N3O4S (C27 H22 F3 N3 O4 S)

Compound Name

7-acetyl-3-(3-acetylphenyl)-1-[3-(trifluoromethyl)benzyl]-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-acetylphenyl)-6-{[3-(trifluoromethyl)phenyl]methyl}-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(c1cccc(N(C(c2c(N3Cc4cc(C(F)(F)F)ccc4)sc(C4)c2CCN4C(C)=O)=O)C3=O)c1)=O

InChI

InChI=1S/C27H22F3N3O4S/c1-15(34)18-6-4-8-20(12-18)33-24(36)23-21-9-10-31(16(2)35)14-22(21)38-25(23)32(26(33)37)13-17-5-3-7-19(11-17)27(28,29)30/h3-8,11-12H,9-10,13-14H2,1-2H3

InChI Key

RGZCZOZEMOXGLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.30

Polar Surface Area

61.983

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C728-0404 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C728-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C728-0404?
Check Price and Availability of C728-0404, 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 C728-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C728-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C728-0404
  • 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 C728-0404 available by request