S779-2055 Screening compound: 3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

S779-2055 Screening compound: 3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
S779-2055 Screening compound: 3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S779-2055
3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-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

S779-2055

Molecular Formula

C19H26N4O2 (C19 H26 N4 O2)

Compound Name

3-[(2,5-dimethyl-1H-imidazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

IUPAC name

3-[(25-dimethyl-1H-imidazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

SMILES

Cc1cnc(C)n1CC(CC1)CN1C(NCc(cc1)ccc1OC)=O

InChI

InChI=1S/C19H26N4O2/c1-14-10-20-15(2)23(14)13-17-8-9-22(12-17)19(24)21-11-16-4-6-18(25-3)7-5-16/h4-7,10,17H,8-9,11-13H2,1-3H3,(H,21,24)/t17-/m1/s1

InChI Key

ATIPPBGLSZLRJG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31967436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.114

Distribution Coefficient, logD

0.775

Water Solubility, LogSw

-2.42

Polar Surface Area

46.835

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S779-2055 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S779-2055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S779-2055?
Check Price and Availability of S779-2055, 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 S779-2055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S779-2055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S779-2055
  • 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 S779-2055 available by request