8640-0290 Screening compound: N~1~-(4-acetylphenyl)-2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

8640-0290 Screening compound: N~1~-(4-acetylphenyl)-2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
8640-0290 Screening compound: N~1~-(4-acetylphenyl)-2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0290
N~1~-(4-acetylphenyl)-2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

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

8640-0290

Molecular Formula

C23H25N3O3S3 (C23 H25 N3 O3 S3)

Compound Name

N~1~-(4-acetylphenyl)-2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

IUPAC name

N-(4-acetylphenyl)-2-{[12-ethyl-12-methyl-5-(methylsulfanyl)-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl]sulfanyl}acetamide

SMILES

CCC(C)(C1)OCc(sc2nc(SC)n3)c1c2c3SCC(Nc(cc1)ccc1C(C)=O)=O

InChI

InChI=1S/C23H25N3O3S3/c1-5-23(3)10-16-17(11-29-23)32-21-19(16)20(25-22(26-21)30-4)31-12-18(28)24-15-8-6-14(7-9-15)13(2)27/h6-9H,5,10-12H2,1-4H3,(H,24,28)/t23-/m0/s1

InChI Key

PWTCKSRBMQGECF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04016937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.406

Distribution Coefficient, logD

5.405

Water Solubility, LogSw

-5.54

Polar Surface Area

63.284

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 8640-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0290?
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What is the minimum amount of 8640-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0290
  • 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 8640-0290 available by request