3335-0217 Screening compound: 4-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)morpholine

3335-0217 Screening compound: 4-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)morpholine
3335-0217 Screening compound: 4-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0217
4-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)morpholine

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

3335-0217

Molecular Formula

C22H21N5O6S (C22 H21 N5 O6 S)

Compound Name

4-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)morpholine

IUPAC name

4-(4-{35-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)morpholine

SMILES

Cc(n(C(c(cc1)cc([N+]([O-])=O)c1N1CCOCC1)=O)nc1C)c1Sc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C22H21N5O6S/c1-14-21(34-18-6-4-17(5-7-18)26(29)30)15(2)25(23-14)22(28)16-3-8-19(20(13-16)27(31)32)24-9-11-33-12-10-24/h3-8,13H,9-12H2,1-2H3

InChI Key

YEYDQCVKWJFURP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02328411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

3.131

Water Solubility, LogSw

-3.51

Polar Surface Area

105.103

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 3335-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0217?
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What is the minimum amount of 3335-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0217
  • 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 3335-0217 available by request