M061-0116 Screening compound: 3-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-5,7-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

M061-0116 Screening compound: 3-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-5,7-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
M061-0116 Screening compound: 3-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-5,7-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M061-0116
3-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-5,7-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

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

M061-0116

Molecular Formula

C29H33N5O4S (C29 H33 N5 O4 S)

Compound Name

3-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-5,7-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

3-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-57-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc1ccc(CNC(c2nn3c(C)cc(C)nc3c2-c(cc2)cc(S(N3CCCCC3)(=O)=O)c2OC)=O)cc1

InChI

InChI=1S/C29H33N5O4S/c1-19-8-10-22(11-9-19)18-30-29(35)27-26(28-31-20(2)16-21(3)34(28)32-27)23-12-13-24(38-4)25(17-23)39(36,37)33-14-6-5-7-15-33/h8-13,16-17H,5-7,14-15,18H2,1-4H3,(H,30,35)

InChI Key

RNQWYFHHCOYLSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.08

Polar Surface Area

84.246

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

M061-0116 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 M061-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M061-0116?
Check Price and Availability of M061-0116, 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 M061-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M061-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M061-0116
  • 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 M061-0116 available by request