8640-0317 Screening compound: 3-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}-1-propanol

8640-0317 Screening compound: 3-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}-1-propanol
8640-0317 Screening compound: 3-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}-1-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0317
3-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}-1-propanol

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

8640-0317

Molecular Formula

C18H27N3O2S2 (C18 H27 N3 O2 S2)

Compound Name

3-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}-1-propanol

IUPAC name

3-{[12-ethyl-12-methyl-5-(propylsulfanyl)-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl]amino}propan-1-ol

SMILES

CCCSc1nc(NCCCO)c(c(CC(C)(CC)OC2)c2s2)c2n1

InChI

InChI=1S/C18H27N3O2S2/c1-4-9-24-17-20-15(19-7-6-8-22)14-12-10-18(3,5-2)23-11-13(12)25-16(14)21-17/h22H,4-11H2,1-3H3,(H,19,20,21)/t18-/m0/s1

InChI Key

GAJBYDJUFGEKND-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04191149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-4.52

Polar Surface Area

54.091

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

8640-0317 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8640-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0317?
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What is the minimum amount of 8640-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0317
  • 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 8640-0317 available by request