C366-0194 Screening compound: N-{3-[1-(ethanesulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

C366-0194 Screening compound: N-{3-[1-(ethanesulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
C366-0194 Screening compound: N-{3-[1-(ethanesulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C366-0194
N-{3-[1-(ethanesulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

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

C366-0194

Molecular Formula

C18H20N4O6S2 (C18 H20 N4 O6 S2)

Compound Name

N-{3-[1-(ethanesulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

IUPAC name

N-{3-[1-(ethanesulfonyl)-5-(3-nitrophenyl)-45-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

SMILES

CCS(N(C(C1)c2cc([N+]([O-])=O)ccc2)N=C1c1cc(NS(C)(=O)=O)ccc1)(=O)=O

InChI

InChI=1S/C18H20N4O6S2/c1-3-30(27,28)21-18(14-7-5-9-16(11-14)22(23)24)12-17(19-21)13-6-4-8-15(10-13)20-29(2,25)26/h4-11,18,20H,3,12H2,1-2H3/t18-/m0/s1

InChI Key

JUOHYYXROUBDBJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04463941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.676

Distribution Coefficient, logD

2.653

Water Solubility, LogSw

-3.17

Polar Surface Area

117.766

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C366-0194 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C366-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C366-0194?
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What is the minimum amount of C366-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C366-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C366-0194
  • 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 C366-0194 available by request