8016-8639 Screening compound: N-{5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}-4-methylbenzamide

8016-8639 Screening compound: N-{5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}-4-methylbenzamide
8016-8639 Screening compound: N-{5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8639
N-{5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}-4-methylbenzamide

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

8016-8639

Molecular Formula

C17H17ClN4O (C17 H17 ClN4 O)

Compound Name

N-{5-chloro-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}-4-methylbenzamide

IUPAC name

N-{5-chloro-146-trimethyl-1H-pyrazolo[34-b]pyridin-3-yl}-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc(c1c2C)nn(C)c1nc(C)c2Cl)=O

InChI

InChI=1S/C17H17ClN4O/c1-9-5-7-12(8-6-9)17(23)20-15-13-10(2)14(18)11(3)19-16(13)22(4)21-15/h5-8H,1-4H3,(H,20,21,23)

InChI Key

JSAXHWQGGHKDMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-4.35

Polar Surface Area

47.786

Acid Dissociation Constant (pKa)

6.14

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8016-8639 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-8639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8639?
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What is the minimum amount of 8016-8639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8639
  • 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 8016-8639 available by request