C100-0106 Screening compound: 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate

C100-0106 Screening compound: 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate
C100-0106 Screening compound: 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0106
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate

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

C100-0106

Molecular Formula

C19H17N3O5S (C19 H17 N3 O5 S)

Compound Name

3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate

IUPAC name

3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate

SMILES

Cc(c(Sc(cccc1)c1[N+]([O-])=O)c1OC(COC)=O)nn1-c1ccccc1

InChI

InChI=1S/C19H17N3O5S/c1-13-18(28-16-11-7-6-10-15(16)22(24)25)19(27-17(23)12-26-2)21(20-13)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3

InChI Key

QYAGUYYLLUKTHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.213

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.75

Polar Surface Area

75.460

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C100-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0106?
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What is the minimum amount of C100-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0106
  • 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 C100-0106 available by request