S836-4447 Screening compound: 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide

S836-4447 Screening compound: 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
S836-4447 Screening compound: 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-4447
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(hydroxymethyl)-N-methylpyrrolidine-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

S836-4447

Molecular Formula

C15H24N4O3 (C15 H24 N4 O3)

Compound Name

1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide

IUPAC name

(3S4S)-1-[3-(35-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide

SMILES

Cc1cc(C)nn1CCC(N(C[C@@H]1CO)C[C@@H]1C(NC)=O)=O

InChI

InChI=1S/C15H24N4O3/c1-10-6-11(2)19(17-10)5-4-14(21)18-7-12(9-20)13(8-18)15(22)16-3/h6,12-13,20H,4-5,7-9H2,1-3H3,(H,16,22)/t12-,13+/m1/s1

InChI Key

QRZQOXPPBSRXFT-OLZOCXBDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-1.632

Distribution Coefficient, logD

-1.632

Water Solubility, LogSw

-1.70

Polar Surface Area

72.528

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

S836-4447 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S836-4447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-4447?
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What is the minimum amount of S836-4447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-4447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-4447
  • 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 S836-4447 available by request