8019-3920 Screening compound: 2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]acetamide

8019-3920 Screening compound: 2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]acetamide
8019-3920 Screening compound: 2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3920
2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]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

8019-3920

Molecular Formula

C23H18N6O2S (C23 H18 N6 O2 S)

Compound Name

2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]acetamide

IUPAC name

2-[2-(2H-123-benzotriazol-2-yl)-4-methylphenoxy]-N-[4-(pyridin-2-yl)-13-thiazol-2-yl]acetamide

SMILES

Cc(cc1)cc(-n2nc(cccc3)c3n2)c1OCC(Nc1nc(-c2ncccc2)cs1)=O

InChI

InChI=1S/C23H18N6O2S/c1-15-9-10-21(20(12-15)29-27-17-7-2-3-8-18(17)28-29)31-13-22(30)26-23-25-19(14-32-23)16-6-4-5-11-24-16/h2-12,14H,13H2,1H3,(H,25,26,30)

InChI Key

QZRGMAPQCVJRKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.985

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-4.68

Polar Surface Area

73.258

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8019-3920 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8019-3920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3920?
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What is the minimum amount of 8019-3920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3920
  • 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 8019-3920 available by request