3807-1236 Screening compound: 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

3807-1236 Screening compound: 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3807-1236 Screening compound: 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-1236
2-(heptylsulfanyl)-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

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

3807-1236

Molecular Formula

C25H32N2O3S2 (C25 H32 N2 O3 S2)

Compound Name

2-(heptylsulfanyl)-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-(heptylsulfanyl)-4-(4-methoxyphenyl)-1212-dimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CCCCCCCSC(N1c(cc2)ccc2OC)=Nc(sc2c3CC(C)(C)OC2)c3C1=O

InChI

InChI=1S/C25H32N2O3S2/c1-5-6-7-8-9-14-31-24-26-22-21(19-15-25(2,3)30-16-20(19)32-22)23(28)27(24)17-10-12-18(29-4)13-11-17/h10-13H,5-9,14-16H2,1-4H3

InChI Key

FIVNMUIWWZALNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01562150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.163

Distribution Coefficient, logD

7.163

Water Solubility, LogSw

-5.73

Polar Surface Area

40.495

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

3807-1236 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3807-1236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-1236?
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What is the minimum amount of 3807-1236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-1236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-1236
  • 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 3807-1236 available by request