8640-0280 Screening compound: 2-(4-butoxyphenyl)-4-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

8640-0280 Screening compound: 2-(4-butoxyphenyl)-4-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
8640-0280 Screening compound: 2-(4-butoxyphenyl)-4-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0280
2-(4-butoxyphenyl)-4-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

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

8640-0280

Molecular Formula

C25H32N2O2S2 (C25 H32 N2 O2 S2)

Compound Name

2-(4-butoxyphenyl)-4-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

IUPAC name

5-(4-butoxyphenyl)-3-(butylsulfanyl)-1212-dimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CCCCOc(cc1)ccc1-c1nc(SCCCC)c(c(CC(C)(C)OC2)c2s2)c2n1

InChI

InChI=1S/C25H32N2O2S2/c1-5-7-13-28-18-11-9-17(10-12-18)22-26-23(30-14-8-6-2)21-19-15-25(3,4)29-16-20(19)31-24(21)27-22/h9-12H,5-8,13-16H2,1-4H3

InChI Key

UODOFGIAUHDMSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03675657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.903

Distribution Coefficient, logD

8.903

Water Solubility, LogSw

-6.12

Polar Surface Area

34.810

Acid Dissociation Constant (pKa)

25.07

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with 8640-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0280?
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What is the minimum amount of 8640-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0280
  • 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 8640-0280 available by request