D399-3552 Screening compound: N-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

D399-3552 Screening compound: N-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
D399-3552 Screening compound: N-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3552
N-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)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

D399-3552

Molecular Formula

C18H18BrFN2O (C18 H18 BrFN2 O)

Compound Name

N-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

IUPAC name

N-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

SMILES

Cc(cc(cc1)NC(N(CCC2)C2c2cc(F)ccc2)=O)c1Br

InChI

InChI=1S/C18H18BrFN2O/c1-12-10-15(7-8-16(12)19)21-18(23)22-9-3-6-17(22)13-4-2-5-14(20)11-13/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m0/s1

InChI Key

WQMSKLGGLBLOPY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD10702275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.701

Distribution Coefficient, logD

4.701

Water Solubility, LogSw

-4.40

Polar Surface Area

25.496

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D399-3552 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D399-3552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3552?
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What is the minimum amount of D399-3552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3552
  • 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 D399-3552 available by request