D399-3307 Screening compound: N-(2-bromophenyl)-2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide

D399-3307 Screening compound: N-(2-bromophenyl)-2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide
D399-3307 Screening compound: N-(2-bromophenyl)-2-(1-ethyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3307
N-(2-bromophenyl)-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

D399-3307

Molecular Formula

C16H19BrN4O (C16 H19 BrN4 O)

Compound Name

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

IUPAC name

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

SMILES

CCn1nccc1C(CCC1)N1C(Nc(cccc1)c1Br)=O

InChI

InChI=1S/C16H19BrN4O/c1-2-21-15(9-10-18-21)14-8-5-11-20(14)16(22)19-13-7-4-3-6-12(13)17/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3,(H,19,22)/t14-/m0/s1

InChI Key

YIYZLOOBOFECHK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10702165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-2.89

Polar Surface Area

37.887

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D399-3307 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 D399-3307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3307?
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What is the minimum amount of D399-3307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3307
  • 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 D399-3307 available by request