8017-3921 Screening compound: N~2~-[3-(6-methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]-2-naphthalenesulfonamide

8017-3921 Screening compound: N~2~-[3-(6-methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]-2-naphthalenesulfonamide
8017-3921 Screening compound: N~2~-[3-(6-methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]-2-naphthalenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3921
N~2~-[3-(6-methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]-2-naphthalenesulfonamide

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

8017-3921

Molecular Formula

C21H18N4O2S2 (C21 H18 N4 O2 S2)

Compound Name

N~2~-[3-(6-methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]-2-naphthalenesulfonamide

IUPAC name

N-(3-{6-methyl-5H6H-[124]triazolo[34-b][13]thiazol-3-yl}phenyl)naphthalene-2-sulfonamide

SMILES

CC1Sc2nnc(-c3cccc(NS(c4cc5ccccc5cc4)(=O)=O)c3)n2C1

InChI

InChI=1S/C21H18N4O2S2/c1-14-13-25-20(22-23-21(25)28-14)17-7-4-8-18(11-17)24-29(26,27)19-10-9-15-5-2-3-6-16(15)12-19/h2-12,14,24H,13H2,1H3/t14-/m1/s1

InChI Key

SGBFLIGKAVBUPK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06016460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.783

Water Solubility, LogSw

-5.32

Polar Surface Area

64.502

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

8017-3921 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-3921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3921?
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What is the minimum amount of 8017-3921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3921
  • 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 8017-3921 available by request