D399-0447 Screening compound: 1-ethyl-5-[1-(2,4,5-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole

D399-0447 Screening compound: 1-ethyl-5-[1-(2,4,5-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole
D399-0447 Screening compound: 1-ethyl-5-[1-(2,4,5-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0447
1-ethyl-5-[1-(2,4,5-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole

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

D399-0447

Molecular Formula

C18H25N3O2S (C18 H25 N3 O2 S)

Compound Name

1-ethyl-5-[1-(2,4,5-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole

IUPAC name

1-ethyl-5-[1-(245-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole

SMILES

CCn1nccc1C(CCC1)N1S(c1c(C)cc(C)c(C)c1)(=O)=O

InChI

InChI=1S/C18H25N3O2S/c1-5-20-16(8-9-19-20)17-7-6-10-21(17)24(22,23)18-12-14(3)13(2)11-15(18)4/h8-9,11-12,17H,5-7,10H2,1-4H3/t17-/m0/s1

InChI Key

ZMKGZDGURXDDCL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD10702288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

3.291

Water Solubility, LogSw

-3.40

Polar Surface Area

45.604

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D399-0447 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D399-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0447?
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What is the minimum amount of D399-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0447
  • 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 D399-0447 available by request