8640-0169 Screening compound: 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

8640-0169 Screening compound: 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
8640-0169 Screening compound: 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0169
3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(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

8640-0169

Molecular Formula

C25H21ClN2O4S (C25 H21 ClN2 O4 S)

Compound Name

3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

4-(3-chlorophenyl)-1212-dimethyl-6-(2-oxo-2-phenylethyl)-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(C)(C1)OCc2c1c(C(N(c1cccc(Cl)c1)C(N1CC(c3ccccc3)=O)=O)=O)c1s2

InChI

InChI=1S/C25H21ClN2O4S/c1-25(2)12-18-20(14-32-25)33-23-21(18)22(30)28(17-10-6-9-16(26)11-17)24(31)27(23)13-19(29)15-7-4-3-5-8-15/h3-11H,12-14H2,1-2H3

InChI Key

JPJZKCDUMSGJEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04022651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.784

Distribution Coefficient, logD

4.784

Water Solubility, LogSw

-5.05

Polar Surface Area

51.972

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

-11.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8640-0169 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 8640-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0169?
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What is the minimum amount of 8640-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0169
  • 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 8640-0169 available by request