S836-3123 Screening compound: (3S,4S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethyltetrahydro-1H-pyrrole-3-carboxamide

S836-3123 Screening compound: (3S,4S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethyltetrahydro-1H-pyrrole-3-carboxamide
S836-3123 Screening compound: (3S,4S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethyltetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-3123
(3S,4S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-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

S836-3123

Molecular Formula

C15H26N4O2 (C15 H26 N4 O2)

Compound Name

(3S,4S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethyltetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

(3S4S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)-NN-dimethylpyrrolidine-3-carboxamide

SMILES

CCn1ncc(CN(C[C@@H]2COC)C[C@@H]2C(N(C)C)=O)c1

InChI

InChI=1S/C15H26N4O2/c1-5-19-8-12(6-16-19)7-18-9-13(11-21-4)14(10-18)15(20)17(2)3/h6,8,13-14H,5,7,9-11H2,1-4H3/t13-,14+/m1/s1

InChI Key

MHAIQHWVTMJVHM-KGLIPLIRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.520

Distribution Coefficient, logD

-7.343

Water Solubility, LogSw

-0.74

Polar Surface Area

43.130

Acid Dissociation Constant (pKa)

22.11

Base Dissociation Constant (pKb)

14.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

73.33

References: we are preparing a list of scientific research reports with S836-3123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-3123?
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What is the minimum amount of S836-3123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-3123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-3123
  • 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 S836-3123 available by request