S836-4716 Screening compound: (3S,4S)-4-(hydroxymethyl)-N~3~-methyl-1-[2-(trifluoromethyl)benzoyl]tetrahydro-1H-pyrrole-3-carboxamide

S836-4716 Screening compound: (3S,4S)-4-(hydroxymethyl)-N~3~-methyl-1-[2-(trifluoromethyl)benzoyl]tetrahydro-1H-pyrrole-3-carboxamide
S836-4716 Screening compound: (3S,4S)-4-(hydroxymethyl)-N~3~-methyl-1-[2-(trifluoromethyl)benzoyl]tetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-4716
(3S,4S)-4-(hydroxymethyl)-N~3~-methyl-1-[2-(trifluoromethyl)benzoyl]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

S836-4716

Molecular Formula

C15H17F3N2O3 (C15 H17 F3 N2 O3)

Compound Name

(3S,4S)-4-(hydroxymethyl)-N~3~-methyl-1-[2-(trifluoromethyl)benzoyl]tetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

(3S4S)-4-(hydroxymethyl)-N-methyl-1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxamide

SMILES

CNC([C@@H](C1)[C@@H](CO)CN1C(c1c(C(F)(F)F)cccc1)=O)=O

InChI

InChI=1S/C15H17F3N2O3/c1-19-13(22)11-7-20(6-9(11)8-21)14(23)10-4-2-3-5-12(10)15(16,17)18/h2-5,9,11,21H,6-8H2,1H3,(H,19,22)/t9-,11+/m0/s1

InChI Key

ISCYKONKMGJZOR-GXSJLCMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.332

Distribution Coefficient, logD

0.332

Water Solubility, LogSw

-2.14

Polar Surface Area

59.070

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.67

References: we are preparing a list of scientific research reports with S836-4716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-4716?
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What is the minimum amount of S836-4716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-4716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-4716
  • 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 S836-4716 available by request