S823-6991 Screening compound: N-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}pyridine-3-carboxamide

S823-6991 Screening compound: N-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}pyridine-3-carboxamide
S823-6991 Screening compound: N-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-6991
N-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}pyridine-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

S823-6991

Molecular Formula

C17H22N4O3 (C17 H22 N4 O3)

Compound Name

N-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl}pyridine-3-carboxamide

IUPAC name

N-[(3S4R)-1-[(35-dimethyl-12-oxazol-4-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide

SMILES

Cc1noc(C)c1CN(C[C@@H]1CO)C[C@@H]1NC(c1cnccc1)=O

InChI

InChI=1S/C17H22N4O3/c1-11-15(12(2)24-20-11)8-21-7-14(10-22)16(9-21)19-17(23)13-4-3-5-18-6-13/h3-6,14,16,22H,7-10H2,1-2H3,(H,19,23)/t14-,16+/m1/s1

InChI Key

MCXLRBIYIOBDKH-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.168

Distribution Coefficient, logD

-3.087

Water Solubility, LogSw

-0.88

Polar Surface Area

77.212

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

References: we are preparing a list of scientific research reports with S823-6991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-6991?
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What is the minimum amount of S823-6991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-6991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-6991
  • 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 S823-6991 available by request