5508-0270 Screening compound: 3,7-bis(butylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidine

5508-0270 Screening compound: 3,7-bis(butylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidine
5508-0270 Screening compound: 3,7-bis(butylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5508-0270
3,7-bis(butylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a: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

5508-0270

Molecular Formula

C20H26N6S3 (C20 H26 N6 S3)

Compound Name

3,7-bis(butylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidine

IUPAC name

38-bis(butylsulfanyl)-19-thia-2457910-hexaazapentacyclo[10.7.0.0^{26}.0^{711}.0^{1318}]nonadeca-1(12)3581013(18)-hexaene

SMILES

CCCCSc1nnc(c2c(n34)sc5c2CCCC5)n1c4nnc3SCCCC

InChI

InChI=1S/C20H26N6S3/c1-3-5-11-27-19-23-21-16-15-13-9-7-8-10-14(13)29-17(15)26-18(25(16)19)22-24-20(26)28-12-6-4-2/h3-12H2,1-2H3

InChI Key

GQJSGOOWLJQCKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.118

Distribution Coefficient, logD

6.118

Water Solubility, LogSw

-5.64

Polar Surface Area

46.387

Acid Dissociation Constant (pKa)

24.34

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

5508-0270 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5508-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5508-0270?
Check Price and Availability of 5508-0270, 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 5508-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5508-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5508-0270
  • 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 5508-0270 available by request