SA95-0191 Screening compound: 1-(2-{1-[(4-methoxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidin-1-yl)-3-methylbutan-1-one

SA95-0191 Screening compound: 1-(2-{1-[(4-methoxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidin-1-yl)-3-methylbutan-1-one
SA95-0191 Screening compound: 1-(2-{1-[(4-methoxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidin-1-yl)-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA95-0191
1-(2-{1-[(4-methoxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidin-1-yl)-3-methylbutan-1-one

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

SA95-0191

Molecular Formula

C21H29N3O2 (C21 H29 N3 O2)

Compound Name

1-(2-{1-[(4-methoxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidin-1-yl)-3-methylbutan-1-one

IUPAC name

1-(2-{1-[(4-methoxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidin-1-yl)-3-methylbutan-1-one

SMILES

CC(C)CC(N(CCC1)C1c1ncc(C)n1Cc(cc1)ccc1OC)=O

InChI

InChI=1S/C21H29N3O2/c1-15(2)12-20(25)23-11-5-6-19(23)21-22-13-16(3)24(21)14-17-7-9-18(26-4)10-8-17/h7-10,13,15,19H,5-6,11-12,14H2,1-4H3/t19-/m0/s1

InChI Key

DMDTYLDCYZEGHH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32245184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.362

Water Solubility, LogSw

-3.26

Polar Surface Area

35.148

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

SA95-0191 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with SA95-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA95-0191?
Check Price and Availability of SA95-0191, 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 SA95-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA95-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA95-0191
  • 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 SA95-0191 available by request