8640-0604 Screening compound: 1-(4-chlorophenyl)-2-[(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]-1-ethanone

8640-0604 Screening compound: 1-(4-chlorophenyl)-2-[(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]-1-ethanone
8640-0604 Screening compound: 1-(4-chlorophenyl)-2-[(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0604
1-(4-chlorophenyl)-2-[(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]-1-ethanone

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

8640-0604

Molecular Formula

C25H24ClN3O2S2 (C25 H24 ClN3 O2 S2)

Compound Name

1-(4-chlorophenyl)-2-[(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]-1-ethanone

IUPAC name

1-(4-chlorophenyl)-2-{[44-dimethyl-8-(propan-2-yl)-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-yl]sulfanyl}ethan-1-one

SMILES

CC(C)c1nc(sc2c3ncnc2SCC(c(cc2)ccc2Cl)=O)c3c2c1COC(C)(C)C2

InChI

InChI=1S/C25H24ClN3O2S2/c1-13(2)20-17-10-31-25(3,4)9-16(17)19-21-22(33-23(19)29-20)24(28-12-27-21)32-11-18(30)14-5-7-15(26)8-6-14/h5-8,12-13H,9-11H2,1-4H3

InChI Key

KJEMHMRGHBIVIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03295913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.127

Distribution Coefficient, logD

7.127

Water Solubility, LogSw

-6.54

Polar Surface Area

51.749

Acid Dissociation Constant (pKa)

16.44

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

8640-0604 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8640-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0604?
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What is the minimum amount of 8640-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0604
  • 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 8640-0604 available by request