4789-3754 Screening compound: 3-cyclohexyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

4789-3754 Screening compound: 3-cyclohexyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
4789-3754 Screening compound: 3-cyclohexyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3754
3-cyclohexyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]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

4789-3754

Molecular Formula

C17H20N4S (C17 H20 N4 S)

Compound Name

3-cyclohexyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

IUPAC name

5-cyclohexyl-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

C(CC1)CCC1c1nnc2n1cnc1c2c(CCCC2)c2s1

InChI

InChI=1S/C17H20N4S/c1-2-6-11(7-3-1)15-19-20-16-14-12-8-4-5-9-13(12)22-17(14)18-10-21(15)16/h10-11H,1-9H2

InChI Key

OMNRHXJOBBKGEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02967997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.913

Distribution Coefficient, logD

3.913

Water Solubility, LogSw

-4.15

Polar Surface Area

33.445

Acid Dissociation Constant (pKa)

25.36

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

4789-3754 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4789-3754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3754?
Check Price and Availability of 4789-3754, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4789-3754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3754
  • 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 4789-3754 available by request