S836-4158 Screening compound: (3S,4S)-1-(2-CHLORO-6-FLUOROBENZYL)-N-CYCLOPROPYL-4-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROLE-3-CARBOXAMIDE

S836-4158 Screening compound: (3S,4S)-1-(2-CHLORO-6-FLUOROBENZYL)-N-CYCLOPROPYL-4-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROLE-3-CARBOXAMIDE
S836-4158 Screening compound: (3S,4S)-1-(2-CHLORO-6-FLUOROBENZYL)-N-CYCLOPROPYL-4-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROLE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-4158
(3S,4S)-1-(2-CHLORO-6-FLUOROBENZYL)-N-CYCLOPROPYL-4-(HYDROXYMETHYL)TETRAHYDRO-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

S836-4158

Molecular Formula

C16H20ClFN2O2 (C16 H20 ClFN2 O2)

Compound Name

(3S,4S)-1-(2-CHLORO-6-FLUOROBENZYL)-N-CYCLOPROPYL-4-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROLE-3-CARBOXAMIDE

IUPAC name

(3S4S)-1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(hydroxymethyl)pyrrolidine-3-carboxamide

SMILES

OC[C@@H](CN(Cc(c(F)ccc1)c1Cl)C1)[C@H]1C(NC1CC1)=O

InChI

InChI=1S/C16H20ClFN2O2/c17-14-2-1-3-15(18)13(14)8-20-6-10(9-21)12(7-20)16(22)19-11-4-5-11/h1-3,10-12,21H,4-9H2,(H,19,22)/t10-,12+/m0/s1

InChI Key

YNKHGIZNODGISD-CMPLNLGQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.647

Distribution Coefficient, logD

-0.368

Water Solubility, LogSw

-2.46

Polar Surface Area

45.789

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

References: we are preparing a list of scientific research reports with S836-4158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-4158?
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What is the minimum amount of S836-4158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-4158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-4158
  • 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 S836-4158 available by request