M039-0344 Screening compound: N-[(2,4-difluorophenyl)methyl]-5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methoxybenzene-1-sulfonamide

M039-0344 Screening compound: N-[(2,4-difluorophenyl)methyl]-5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methoxybenzene-1-sulfonamide
M039-0344 Screening compound: N-[(2,4-difluorophenyl)methyl]-5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M039-0344
N-[(2,4-difluorophenyl)methyl]-5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methoxybenzene-1-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

M039-0344

Molecular Formula

C22H20F2N4O3S (C22 H20 F2 N4 O3 S)

Compound Name

N-[(2,4-difluorophenyl)methyl]-5-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-2-methoxybenzene-1-sulfonamide

IUPAC name

N-[(24-difluorophenyl)methyl]-5-{57-dimethylpyrazolo[15-a]pyrimidin-3-yl}-2-methoxybenzene-1-sulfonamide

SMILES

Cc(n1nc2)cc(C)nc1c2-c(cc1)cc(S(NCc(ccc(F)c2)c2F)(=O)=O)c1OC

InChI

InChI=1S/C22H20F2N4O3S/c1-13-8-14(2)28-22(27-13)18(12-25-28)15-5-7-20(31-3)21(9-15)32(29,30)26-11-16-4-6-17(23)10-19(16)24/h4-10,12,26H,11H2,1-3H3

InChI Key

GVCISXXKLHKURX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-3.89

Polar Surface Area

69.333

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M039-0344 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 M039-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M039-0344?
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What is the minimum amount of M039-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M039-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M039-0344
  • 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 M039-0344 available by request