M039-0056 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methyl-1-benzenesulfonamide

M039-0056 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methyl-1-benzenesulfonamide
M039-0056 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M039-0056
N-(1,3-benzodioxol-5-ylmethyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methyl-1-benzenesulfonamide

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

M039-0056

Molecular Formula

C23H22N4O4S (C23 H22 N4 O4 S)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methyl-1-benzenesulfonamide

IUPAC name

n/a

SMILES

Cc(ccc(-c1c2nc(C)cc(C)n2nc1)c1)c1S(NCc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C23H22N4O4S/c1-14-4-6-18(19-12-24-27-16(3)8-15(2)26-23(19)27)10-22(14)32(28,29)25-11-17-5-7-20-21(9-17)31-13-30-20/h4-10,12,25H,11,13H2,1-3H3

InChI Key

XJGDFVZVTBYEDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-3.86

Polar Surface Area

78.819

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

M039-0056 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M039-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M039-0056?
Check Price and Availability of M039-0056, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M039-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M039-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M039-0056
  • 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 M039-0056 available by request