S694-2120 Screening compound: 4-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}benzonitrile

S694-2120 Screening compound: 4-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}benzonitrile
S694-2120 Screening compound: 4-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-2120
4-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}benzonitrile

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

S694-2120

Molecular Formula

C18H20N4O2 (C18 H20 N4 O2)

Compound Name

4-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}benzonitrile

IUPAC name

4-{3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}benzonitrile

SMILES

Cc1cnc(COC)n1C(CC1)CN1C(c(cc1)ccc1C#N)=O

InChI

InChI=1S/C18H20N4O2/c1-13-10-20-17(12-24-2)22(13)16-7-8-21(11-16)18(23)15-5-3-14(9-19)4-6-15/h3-6,10,16H,7-8,11-12H2,1-2H3/t16-/m1/s1

InChI Key

HUFDPLSHXRFBBK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD31964744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.847

Distribution Coefficient, logD

-0.664

Water Solubility, LogSw

-1.31

Polar Surface Area

55.211

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

References: we are preparing a list of scientific research reports with S694-2120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-2120?
Check Price and Availability of S694-2120, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S694-2120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-2120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-2120
  • 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 S694-2120 available by request