7617-0108 Screening compound: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate

7617-0108 Screening compound: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate
7617-0108 Screening compound: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7617-0108
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate

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

7617-0108

Molecular Formula

C15H22N2O2S3 (C15 H22 N2 O2 S3)

Compound Name

1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate

IUPAC name

177-trimethylbicyclo[2.2.1]heptan-2-yl 2-{[3-(methylsulfanyl)-124-thiadiazol-5-yl]sulfanyl}acetate

SMILES

CC(C)(C(CC1)C2)C1(C)C2OC(CSc1nc(SC)ns1)=O

InChI

InChI=1S/C15H22N2O2S3/c1-14(2)9-5-6-15(14,3)10(7-9)19-11(18)8-21-13-16-12(20-4)17-22-13/h9-10H,5-8H2,1-4H3

InChI Key

FXEUXGJGTLZYPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

5.271

Water Solubility, LogSw

-4.94

Polar Surface Area

39.224

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

80.00

7617-0108 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 7617-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7617-0108?
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What is the minimum amount of 7617-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7617-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7617-0108
  • 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 7617-0108 available by request