G680-0461 Screening compound: 1-[3,5-dimethyl-4-(morpholine-4-sulfonyl)-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one

G680-0461 Screening compound: 1-[3,5-dimethyl-4-(morpholine-4-sulfonyl)-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
G680-0461 Screening compound: 1-[3,5-dimethyl-4-(morpholine-4-sulfonyl)-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0461
1-[3,5-dimethyl-4-(morpholine-4-sulfonyl)-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one

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

G680-0461

Molecular Formula

C17H20N4O7S (C17 H20 N4 O7 S)

Compound Name

1-[3,5-dimethyl-4-(morpholine-4-sulfonyl)-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one

IUPAC name

1-[35-dimethyl-4-(morpholine-4-sulfonyl)-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one

SMILES

Cc(n(C(COc(cccc1)c1[N+]([O-])=O)=O)nc1C)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C17H20N4O7S/c1-12-17(29(25,26)19-7-9-27-10-8-19)13(2)20(18-12)16(22)11-28-15-6-4-3-5-14(15)21(23)24/h3-6H,7-11H2,1-2H3

InChI Key

TZDJIRWFLRXJMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.43

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.096

Distribution Coefficient, logD

0.096

Water Solubility, LogSw

-2.08

Polar Surface Area

107.611

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G680-0461 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G680-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0461?
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What is the minimum amount of G680-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0461
  • 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 G680-0461 available by request