H030-1002 Screening compound: N-methyl-2-({3-[2-(2-pyridyl)ethyl]-1H-indazol-6-yl}sulfanyl)benzamide

H030-1002 Screening compound: N-methyl-2-({3-[2-(2-pyridyl)ethyl]-1H-indazol-6-yl}sulfanyl)benzamide
H030-1002 Screening compound: N-methyl-2-({3-[2-(2-pyridyl)ethyl]-1H-indazol-6-yl}sulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H030-1002
N-methyl-2-({3-[2-(2-pyridyl)ethyl]-1H-indazol-6-yl}sulfanyl)benzamide

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

H030-1002

Molecular Formula

C22H20N4OS (C22 H20 N4 OS)

Compound Name

N-methyl-2-({3-[2-(2-pyridyl)ethyl]-1H-indazol-6-yl}sulfanyl)benzamide

IUPAC name

N-methyl-2-({3-[2-(pyridin-2-yl)ethyl]-1H-indazol-6-yl}sulfanyl)benzamide

SMILES

CNC(c(cccc1)c1Sc(cc1)cc2c1c(CCc1ncccc1)n[nH]2)=O

InChI

InChI=1S/C22H20N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,27)(H,25,26)

InChI Key

JPTQVDRPKXSDDN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.613

Water Solubility, LogSw

-4.15

Polar Surface Area

57.816

Acid Dissociation Constant (pKa)

18.04

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

H030-1002 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 H030-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H030-1002?
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What is the minimum amount of H030-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H030-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H030-1002
  • 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 H030-1002 available by request