M461-7260 Screening compound: 3-(azepane-1-sulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

M461-7260 Screening compound: 3-(azepane-1-sulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
M461-7260 Screening compound: 3-(azepane-1-sulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-7260
3-(azepane-1-sulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-1H-pyrazole-4-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

M461-7260

Molecular Formula

C20H28N4O5S (C20 H28 N4 O5 S)

Compound Name

3-(azepane-1-sulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

IUPAC name

3-(azepane-1-sulfonyl)-N-[(34-dimethoxyphenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

SMILES

Cn(cc1C(NCc(cc2)cc(OC)c2OC)=O)nc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C20H28N4O5S/c1-23-14-16(20(22-23)30(26,27)24-10-6-4-5-7-11-24)19(25)21-13-15-8-9-17(28-2)18(12-15)29-3/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,21,25)

InChI Key

QIFLUHWCGWPMHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

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

1.715

Distribution Coefficient, logD

1.715

Water Solubility, LogSw

-2.68

Polar Surface Area

87.085

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with M461-7260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-7260?
Check Price and Availability of M461-7260, 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 M461-7260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-7260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-7260
  • 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 M461-7260 available by request