4013-2800 Screening compound: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-nitrophenyl)benzene-1-sulfonamide

4013-2800 Screening compound: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-nitrophenyl)benzene-1-sulfonamide
4013-2800 Screening compound: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-nitrophenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4013-2800
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-nitrophenyl)benzene-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

4013-2800

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-nitrophenyl)benzene-1-sulfonamide

IUPAC name

N-[3-(35-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-nitrophenyl)benzene-1-sulfonamide

SMILES

Cc1cc(C)nn1CC(CN(c1cc([N+]([O-])=O)ccc1)S(c1ccc(C)cc1)(=O)=O)O

InChI

InChI=1S/C21H24N4O5S/c1-15-7-9-21(10-8-15)31(29,30)24(18-5-4-6-19(12-18)25(27)28)14-20(26)13-23-17(3)11-16(2)22-23/h4-12,20,26H,13-14H2,1-3H3/t20-/m1/s1

InChI Key

BFIDVORLIZMSLB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14709411

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

444.51

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

2.613

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-2.66

Polar Surface Area

95.800

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4013-2800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4013-2800?
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What is the minimum amount of 4013-2800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4013-2800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4013-2800
  • 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 4013-2800 available by request