8640-0223 Screening compound: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-cyclohexyl-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

8640-0223 Screening compound: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-cyclohexyl-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
8640-0223 Screening compound: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-cyclohexyl-6,6-dimethyl-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 8640-0223
1-[2-(4-chlorophenyl)-2-oxoethyl]-3-cyclohexyl-6,6-dimethyl-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

8640-0223

Molecular Formula

C25H27ClN2O4S (C25 H27 ClN2 O4 S)

Compound Name

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

IUPAC name

6-[2-(4-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-1212-dimethyl-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(C1CCCCC1)C(N1CC(c(cc3)ccc3Cl)=O)=O)=O)c1s2

InChI

InChI=1S/C25H27ClN2O4S/c1-25(2)12-18-20(14-32-25)33-23-21(18)22(30)28(17-6-4-3-5-7-17)24(31)27(23)13-19(29)15-8-10-16(26)11-9-15/h8-11,17H,3-7,12-14H2,1-2H3

InChI Key

ZTDCGNNRQDFWSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07773643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.02

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

5.514

Distribution Coefficient, logD

5.514

Water Solubility, LogSw

-6.17

Polar Surface Area

51.805

Acid Dissociation Constant (pKa)

19.05

Base Dissociation Constant (pKb)

-10.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

8640-0223 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8640-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0223?
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What is the minimum amount of 8640-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0223
  • 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 8640-0223 available by request