8018-6795 Screening compound: N~3~-benzyl-5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-3-sulfonamide

8018-6795 Screening compound: N~3~-benzyl-5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-3-sulfonamide
8018-6795 Screening compound: N~3~-benzyl-5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6795
N~3~-benzyl-5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-3-sulfonamide

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

8018-6795

Molecular Formula

C16H17ClN4O2S (C16 H17 ClN4 O2 S)

Compound Name

N~3~-benzyl-5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-3-sulfonamide

IUPAC name

N-benzyl-5-chloro-146-trimethyl-1H-pyrazolo[34-b]pyridine-3-sulfonamide

SMILES

Cc1c2c(S(NCc3ccccc3)(=O)=O)nn(C)c2nc(C)c1Cl

InChI

InChI=1S/C16H17ClN4O2S/c1-10-13-15(19-11(2)14(10)17)21(3)20-16(13)24(22,23)18-9-12-7-5-4-6-8-12/h4-8,18H,9H2,1-3H3

InChI Key

XWUPBGLBIWJTQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.86

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

3.036

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-3.90

Polar Surface Area

66.359

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8018-6795 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 8018-6795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6795?
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What is the minimum amount of 8018-6795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6795
  • 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 8018-6795 available by request