8017-0603 Screening compound: 2-({4-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide

8017-0603 Screening compound: 2-({4-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
8017-0603 Screening compound: 2-({4-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0603
2-({4-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide

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

8017-0603

Molecular Formula

C17H23N5O2S2 (C17 H23 N5 O2 S2)

Compound Name

2-({4-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-({4-methyl-5-[(morpholin-4-yl)methyl]-4H-124-triazol-3-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

Cn1c(SCC(Nc2cc(SC)ccc2)=O)nnc1CN1CCOCC1

InChI

InChI=1S/C17H23N5O2S2/c1-21-15(11-22-6-8-24-9-7-22)19-20-17(21)26-12-16(23)18-13-4-3-5-14(10-13)25-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,23)

InChI Key

OTBILUAOUKUGJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04332315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.109

Distribution Coefficient, logD

1.108

Water Solubility, LogSw

-2.46

Polar Surface Area

61.089

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

8017-0603 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0603?
Check Price and Availability of 8017-0603, 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 8017-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0603
  • 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 8017-0603 available by request