S751-0083 Screening compound: N-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}-4-phenylbutanamide

S751-0083 Screening compound: N-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}-4-phenylbutanamide
S751-0083 Screening compound: N-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}-4-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S751-0083
N-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}-4-phenylbutanamide

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

S751-0083

Molecular Formula

C21H24N4O (C21 H24 N4 O)

Compound Name

N-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}-4-phenylbutanamide

IUPAC name

N-{2-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]ethyl}-4-phenylbutanamide

SMILES

Cc1cnc(-c2cnccc2)n1CCNC(CCCc1ccccc1)=O

InChI

InChI=1S/C21H24N4O/c1-17-15-24-21(19-10-6-12-22-16-19)25(17)14-13-23-20(26)11-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,12,15-16H,5,9,11,13-14H2,1H3,(H,23,26)

InChI Key

VGWJWCTVSKOCTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.545

Distribution Coefficient, logD

1.899

Water Solubility, LogSw

-2.35

Polar Surface Area

44.961

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

S751-0083 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with S751-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S751-0083?
Check Price and Availability of S751-0083, 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 S751-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S751-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S751-0083
  • 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 S751-0083 available by request