S694-2138 Screening compound: 5-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-2-methylpyridine

S694-2138 Screening compound: 5-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-2-methylpyridine
S694-2138 Screening compound: 5-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-2-methylpyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-2138
5-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-2-methylpyridine

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

S694-2138

Molecular Formula

C17H22N4O2 (C17 H22 N4 O2)

Compound Name

5-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-2-methylpyridine

IUPAC name

5-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-2-methylpyridine

SMILES

Cc1cnc(COC)n1C(CC1)CN1C(c1cnc(C)cc1)=O

InChI

InChI=1S/C17H22N4O2/c1-12-4-5-14(9-18-12)17(22)20-7-6-15(10-20)21-13(2)8-19-16(21)11-23-3/h4-5,8-9,15H,6-7,10-11H2,1-3H3/t15-/m1/s1

InChI Key

IBXRRLBDVBPMBF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31997099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.537

Distribution Coefficient, logD

-0.974

Water Solubility, LogSw

-1.30

Polar Surface Area

47.099

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S694-2138 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S694-2138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-2138?
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What is the minimum amount of S694-2138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-2138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-2138
  • 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 S694-2138 available by request