8640-0375 Screening compound: ethyl 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate

8640-0375 Screening compound: ethyl 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
8640-0375 Screening compound: ethyl 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0375
ethyl 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate

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

8640-0375

Molecular Formula

C22H24N2O3S3 (C22 H24 N2 O3 S3)

Compound Name

ethyl 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[1212-dimethyl-4-(4-methylphenyl)-3-oxo-811-dithia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl]sulfanyl}acetate

SMILES

CCOC(CSC(N1c2ccc(C)cc2)=Nc(sc2c3CC(C)(C)SC2)c3C1=O)=O

InChI

InChI=1S/C22H24N2O3S3/c1-5-27-17(25)12-28-21-23-19-18(15-10-22(3,4)29-11-16(15)30-19)20(26)24(21)14-8-6-13(2)7-9-14/h6-9H,5,10-12H2,1-4H3

InChI Key

GNQHYZHGMYMRKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03290784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.164

Distribution Coefficient, logD

5.164

Water Solubility, LogSw

-5.08

Polar Surface Area

45.413

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 8640-0375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0375?
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What is the minimum amount of 8640-0375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0375
  • 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 8640-0375 available by request