S751-1212 Screening compound: 3-fluoro-4-methoxy-N-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}benzamide

S751-1212 Screening compound: 3-fluoro-4-methoxy-N-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}benzamide
S751-1212 Screening compound: 3-fluoro-4-methoxy-N-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S751-1212
3-fluoro-4-methoxy-N-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}benzamide

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

S751-1212

Molecular Formula

C16H20FN3O3 (C16 H20 FN3 O3)

Compound Name

3-fluoro-4-methoxy-N-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}benzamide

IUPAC name

3-fluoro-4-methoxy-N-{2-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]ethyl}benzamide

SMILES

Cc1cnc(COC)n1CCNC(c(cc1)cc(F)c1OC)=O

InChI

InChI=1S/C16H20FN3O3/c1-11-9-19-15(10-22-2)20(11)7-6-18-16(21)12-4-5-14(23-3)13(17)8-12/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,21)

InChI Key

QFPKWINCZPGEHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31967465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.316

Distribution Coefficient, logD

0.120

Water Solubility, LogSw

-1.97

Polar Surface Area

52.958

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S751-1212 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S751-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S751-1212?
Check Price and Availability of S751-1212, 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 S751-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S751-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S751-1212
  • 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 S751-1212 available by request