8018-6604 Screening compound: 5-methyl-4-[4-(morpholin-4-yl)-3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol

8018-6604 Screening compound: 5-methyl-4-[4-(morpholin-4-yl)-3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol
8018-6604 Screening compound: 5-methyl-4-[4-(morpholin-4-yl)-3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6604
5-methyl-4-[4-(morpholin-4-yl)-3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol

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

8018-6604

Molecular Formula

C17H23N5O4S2 (C17 H23 N5 O4 S2)

Compound Name

5-methyl-4-[4-(morpholin-4-yl)-3-(morpholine-4-sulfonyl)phenyl]-4H-1,2,4-triazole-3-thiol

IUPAC name

5-methyl-4-[4-(morpholin-4-yl)-3-(morpholine-4-sulfonyl)phenyl]-4H-124-triazole-3-thiol

SMILES

Cc(n1-c(cc2)cc(S(N3CCOCC3)(=O)=O)c2N2CCOCC2)nnc1S

InChI

InChI=1S/C17H23N5O4S2/c1-13-18-19-17(27)22(13)14-2-3-15(20-4-8-25-9-5-20)16(12-14)28(23,24)21-6-10-26-11-7-21/h2-3,12H,4-11H2,1H3,(H,19,27)

InChI Key

LYKCSKWEEVICCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.179

Distribution Coefficient, logD

-1.081

Water Solubility, LogSw

-2.13

Polar Surface Area

75.186

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

8018-6604 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)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-6604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6604?
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What is the minimum amount of 8018-6604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6604
  • 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 8018-6604 available by request