8019-5640 Screening compound: 5-[3-(tert-butyl)-1H-pyrazol-5-yl]-4-(5-quinolyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8019-5640 Screening compound: 5-[3-(tert-butyl)-1H-pyrazol-5-yl]-4-(5-quinolyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8019-5640 Screening compound: 5-[3-(tert-butyl)-1H-pyrazol-5-yl]-4-(5-quinolyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5640
5-[3-(tert-butyl)-1H-pyrazol-5-yl]-4-(5-quinolyl)-4H-1,2,4-triazol-3-ylhydrosulfide

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

8019-5640

Molecular Formula

C18H18N6S (C18 H18 N6 S)

Compound Name

5-[3-(tert-butyl)-1H-pyrazol-5-yl]-4-(5-quinolyl)-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

n/a

SMILES

CC(C)(C)c1n[nH]c(-c(n2-c3cccc4ncccc34)nnc2S)c1

InChI

InChI=1S/C18H18N6S/c1-18(2,3)15-10-13(20-21-15)16-22-23-17(25)24(16)14-8-4-7-12-11(14)6-5-9-19-12/h4-10H,1-3H3,(H,20,21)(H,23,25)

InChI Key

HJHFIFFUMLWCSP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.500

Distribution Coefficient, logD

2.764

Water Solubility, LogSw

-3.68

Polar Surface Area

54.681

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8019-5640 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-5640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5640?
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What is the minimum amount of 8019-5640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5640
  • 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 8019-5640 available by request