M461-8155 Screening compound: 3-(azepane-1-sulfonyl)-N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-4-carboxamide

M461-8155 Screening compound: 3-(azepane-1-sulfonyl)-N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-4-carboxamide
M461-8155 Screening compound: 3-(azepane-1-sulfonyl)-N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-8155
3-(azepane-1-sulfonyl)-N-(3,4-difluorophenyl)-1-ethyl-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

M461-8155

Molecular Formula

C18H22F2N4O3S (C18 H22 F2 N4 O3 S)

Compound Name

3-(azepane-1-sulfonyl)-N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-4-carboxamide

IUPAC name

3-(azepane-1-sulfonyl)-N-(34-difluorophenyl)-1-ethyl-1H-pyrazole-4-carboxamide

SMILES

CCn(cc1C(Nc(cc2)cc(F)c2F)=O)nc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C18H22F2N4O3S/c1-2-23-12-14(17(25)21-13-7-8-15(19)16(20)11-13)18(22-23)28(26,27)24-9-5-3-4-6-10-24/h7-8,11-12H,2-6,9-10H2,1H3,(H,21,25)

InChI Key

XUTQJSGBCVRRGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.46

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

2.908

Distribution Coefficient, logD

2.002

Water Solubility, LogSw

-3.41

Polar Surface Area

70.195

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with M461-8155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-8155?
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What is the minimum amount of M461-8155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-8155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-8155
  • 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 M461-8155 available by request