S632-4254 Screening compound: 4-[1-(3-bromobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

S632-4254 Screening compound: 4-[1-(3-bromobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
S632-4254 Screening compound: 4-[1-(3-bromobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-4254
4-[1-(3-bromobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-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

S632-4254

Molecular Formula

C18H24BrN3O2 (C18 H24 BrN3 O2)

Compound Name

4-[1-(3-bromobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

IUPAC name

4-[1-(3-bromobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

SMILES

CNC(N(CC1)CCC1C(CC1)CN1C(c1cccc(Br)c1)=O)=O

InChI

InChI=1S/C18H24BrN3O2/c1-20-18(24)21-8-5-13(6-9-21)15-7-10-22(12-15)17(23)14-3-2-4-16(19)11-14/h2-4,11,13,15H,5-10,12H2,1H3,(H,20,24)/t15-/m1/s1

InChI Key

MKQWVVKNJXJGJC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29013975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

2.559

Water Solubility, LogSw

-2.84

Polar Surface Area

44.128

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

S632-4254 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S632-4254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-4254?
Check Price and Availability of S632-4254, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S632-4254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-4254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-4254
  • 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 S632-4254 available by request