C100-0477 Screening compound: 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl acetate

C100-0477 Screening compound: 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl acetate
C100-0477 Screening compound: 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0477
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl acetate

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

C100-0477

Molecular Formula

C16H20N2O2S (C16 H20 N2 O2 S)

Compound Name

1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl acetate

IUPAC name

1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl acetate

SMILES

CC(C)(C)n1nc(C)c(Sc2ccccc2)c1OC(C)=O

InChI

InChI=1S/C16H20N2O2S/c1-11-14(21-13-9-7-6-8-10-13)15(20-12(2)19)18(17-11)16(3,4)5/h6-10H,1-5H3

InChI Key

RFYHZROXWJZNCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.188

Distribution Coefficient, logD

3.188

Water Solubility, LogSw

-3.46

Polar Surface Area

35.619

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C100-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0477?
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What is the minimum amount of C100-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0477
  • 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 C100-0477 available by request