S836-4694 Screening compound: (3S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-(hydroxymethyl)-N~3~-methyltetrahydro-1H-pyrrole-3-carboxamide

S836-4694 Screening compound: (3S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-(hydroxymethyl)-N~3~-methyltetrahydro-1H-pyrrole-3-carboxamide
S836-4694 Screening compound: (3S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-(hydroxymethyl)-N~3~-methyltetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-4694
(3S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-(hydroxymethyl)-N~3~-methyltetrahydro-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

S836-4694

Molecular Formula

C15H19FN2O4 (C15 H19 FN2 O4)

Compound Name

(3S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-(hydroxymethyl)-N~3~-methyltetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

(3S4S)-1-(3-fluoro-4-methoxybenzoyl)-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide

SMILES

CNC([C@@H](C1)[C@@H](CO)CN1C(c(cc1)cc(F)c1OC)=O)=O

InChI

InChI=1S/C15H19FN2O4/c1-17-14(20)11-7-18(6-10(11)8-19)15(21)9-3-4-13(22-2)12(16)5-9/h3-5,10-11,19H,6-8H2,1-2H3,(H,17,20)/t10-,11+/m0/s1

InChI Key

BJQJRRNGCCBKIA-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.247

Distribution Coefficient, logD

-0.247

Water Solubility, LogSw

-1.93

Polar Surface Area

66.700

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 S836-4694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-4694?
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What is the minimum amount of S836-4694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-4694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-4694
  • 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 S836-4694 available by request