F062-0901 Screening compound: ethyl 3-{2-[N-(3,5-dimethylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate

F062-0901 Screening compound: ethyl 3-{2-[N-(3,5-dimethylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate
F062-0901 Screening compound: ethyl 3-{2-[N-(3,5-dimethylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F062-0901
ethyl 3-{2-[N-(3,5-dimethylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate

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

F062-0901

Molecular Formula

C25H30N4O5S (C25 H30 N4 O5 S)

Compound Name

ethyl 3-{2-[N-(3,5-dimethylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate

IUPAC name

ethyl 3-{2-[N-(35-dimethylphenyl)135-trimethyl-1H-pyrazole-4-sulfonamido]acetamido}benzoate

SMILES

CCOC(c1cccc(NC(CN(c2cc(C)cc(C)c2)S(c2c(C)n(C)nc2C)(=O)=O)=O)c1)=O

InChI

InChI=1S/C25H30N4O5S/c1-7-34-25(31)20-9-8-10-21(14-20)26-23(30)15-29(22-12-16(2)11-17(3)13-22)35(32,33)24-18(4)27-28(6)19(24)5/h8-14H,7,15H2,1-6H3,(H,26,30)

InChI Key

LSEKCJIEDZEZKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27097840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-3.98

Polar Surface Area

90.535

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with F062-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F062-0901?
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What is the minimum amount of F062-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F062-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F062-0901
  • 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 F062-0901 available by request