M039-0062 Screening compound: 1-(2,5-dimethylphenyl)-4-(5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methylbenzenesulfonyl)piperazine

M039-0062 Screening compound: 1-(2,5-dimethylphenyl)-4-(5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methylbenzenesulfonyl)piperazine
M039-0062 Screening compound: 1-(2,5-dimethylphenyl)-4-(5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methylbenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M039-0062
1-(2,5-dimethylphenyl)-4-(5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methylbenzenesulfonyl)piperazine

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

M039-0062

Molecular Formula

C27H31N5O2S (C27 H31 N5 O2 S)

Compound Name

1-(2,5-dimethylphenyl)-4-(5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methylbenzenesulfonyl)piperazine

IUPAC name

1-(25-dimethylphenyl)-4-(5-{57-dimethylpyrazolo[15-a]pyrimidin-3-yl}-2-methylbenzenesulfonyl)piperazine

SMILES

Cc1cc(N(CC2)CCN2S(c2c(C)ccc(-c3c4nc(C)cc(C)n4nc3)c2)(=O)=O)c(C)cc1

InChI

InChI=1S/C27H31N5O2S/c1-18-6-7-19(2)25(14-18)30-10-12-31(13-11-30)35(33,34)26-16-23(9-8-20(26)3)24-17-28-32-22(5)15-21(4)29-27(24)32/h6-9,14-17H,10-13H2,1-5H3

InChI Key

ZNACKZRWLYTCII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.294

Distribution Coefficient, logD

5.293

Water Solubility, LogSw

-5.24

Polar Surface Area

54.615

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M039-0062 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M039-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M039-0062?
Check Price and Availability of M039-0062, 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 M039-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M039-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M039-0062
  • 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 M039-0062 available by request