8019-8129 Screening compound: 2-(13-benzothiazol-2-yl)-5-[(4-chlorophenyl)methyl]-4-methyl-36-dioxo-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide

8019-8129 Screening compound: 2-(13-benzothiazol-2-yl)-5-[(4-chlorophenyl)methyl]-4-methyl-36-dioxo-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide
8019-8129 Screening compound: 2-(13-benzothiazol-2-yl)-5-[(4-chlorophenyl)methyl]-4-methyl-36-dioxo-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8129
2-(13-benzothiazol-2-yl)-5-[(4-chlorophenyl)methyl]-4-methyl-36-dioxo-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide

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

8019-8129

Molecular Formula

C21H14ClN4O2S (C21 H14 ClN4 O2 S)

Compound Name

2-(13-benzothiazol-2-yl)-5-[(4-chlorophenyl)methyl]-4-methyl-36-dioxo-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide

IUPAC name

2-(13-benzothiazol-2-yl)-5-[(4-chlorophenyl)methyl]-4-methyl-36-dioxo-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide

SMILES

CC(N(Cc(cc1)ccc1Cl)C(C=C1[N-]N2c3nc(cccc4)c4s3)=O)=C1C2=O

InChI

InChI=1S/C21H15ClN4O2S/c1-12-19-16(10-18(27)25(12)11-13-6-8-14(22)9-7-13)24-26(20(19)28)21-23-15-4-2-3-5-17(15)29-21/h2-10H,11H2,1H3,(H,24,27)/p-1

InChI Key

GENYTAHCFFIDJK-UHFFFAOYSA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

421.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-4.57

Polar Surface Area

54.796

Acid Dissociation Constant (pKa)

28.02

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

8019-8129 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-8129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8129?
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What is the minimum amount of 8019-8129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8129
  • 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 8019-8129 available by request