S836-4932 Screening compound: (3S,4S)-1-(3-bromo-4-fluorobenzyl)-4-(hydroxymethyl)-N,N-dimethyltetrahydro-1H-pyrrole-3-carboxamide

S836-4932 Screening compound: (3S,4S)-1-(3-bromo-4-fluorobenzyl)-4-(hydroxymethyl)-N,N-dimethyltetrahydro-1H-pyrrole-3-carboxamide
S836-4932 Screening compound: (3S,4S)-1-(3-bromo-4-fluorobenzyl)-4-(hydroxymethyl)-N,N-dimethyltetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-4932
(3S,4S)-1-(3-bromo-4-fluorobenzyl)-4-(hydroxymethyl)-N,N-dimethyltetrahydro-1H-pyrrole-3-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

S836-4932

Molecular Formula

C15H20BrFN2O2 (C15 H20 BrFN2 O2)

Compound Name

(3S,4S)-1-(3-bromo-4-fluorobenzyl)-4-(hydroxymethyl)-N,N-dimethyltetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

(3S4S)-1-[(3-bromo-4-fluorophenyl)methyl]-4-(hydroxymethyl)-NN-dimethylpyrrolidine-3-carboxamide

SMILES

CN(C)C([C@@H]1[C@@H](CO)CN(Cc(cc2)cc(Br)c2F)C1)=O

InChI

InChI=1S/C15H20BrFN2O2/c1-18(2)15(21)12-8-19(7-11(12)9-20)6-10-3-4-14(17)13(16)5-10/h3-5,11-12,20H,6-9H2,1-2H3/t11-,12+/m0/s1

InChI Key

QCYSEJVSGWRVKZ-NWDGAFQWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.016

Distribution Coefficient, logD

-1.203

Water Solubility, LogSw

-2.29

Polar Surface Area

37.320

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.33

S836-4932 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S836-4932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-4932?
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What is the minimum amount of S836-4932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-4932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-4932
  • 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 S836-4932 available by request