D399-3334 Screening compound: N-(2,4-dimethoxyphenyl)-2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide

D399-3334 Screening compound: N-(2,4-dimethoxyphenyl)-2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide
D399-3334 Screening compound: N-(2,4-dimethoxyphenyl)-2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3334
N-(2,4-dimethoxyphenyl)-2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide

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

D399-3334

Molecular Formula

C18H24N4O3 (C18 H24 N4 O3)

Compound Name

N-(2,4-dimethoxyphenyl)-2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide

IUPAC name

N-(24-dimethoxyphenyl)-2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide

SMILES

CCn1nccc1C(CCC1)N1C(Nc(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C18H24N4O3/c1-4-22-16(9-10-19-22)15-6-5-11-21(15)18(23)20-14-8-7-13(24-2)12-17(14)25-3/h7-10,12,15H,4-6,11H2,1-3H3,(H,20,23)/t15-/m0/s1

InChI Key

UXMBQNAQUAWDSN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10702192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

2.195

Water Solubility, LogSw

-2.86

Polar Surface Area

53.061

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

D399-3334 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D399-3334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3334?
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What is the minimum amount of D399-3334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3334
  • 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 D399-3334 available by request