SA95-0337 Screening compound: 1-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one

SA95-0337 Screening compound: 1-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
SA95-0337 Screening compound: 1-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA95-0337
1-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-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

SA95-0337

Molecular Formula

C25H28FN3O2 (C25 H28 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(C(CCC2)N2C(CCc(cc2)ccc2OC)=O)n1Cc(cc1)ccc1F

InChI

InChI=1S/C25H28FN3O2/c1-18-16-27-25(29(18)17-20-5-10-21(26)11-6-20)23-4-3-15-28(23)24(30)14-9-19-7-12-22(31-2)13-8-19/h5-8,10-13,16,23H,3-4,9,14-15,17H2,1-2H3/t23-/m0/s1

InChI Key

NGWDRHMGPKVWMA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD32244710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.105

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.07

Polar Surface Area

34.876

Acid Dissociation Constant (pKa)

23.06

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

SA95-0337 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA95-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA95-0337?
Check Price and Availability of SA95-0337, 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 SA95-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA95-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA95-0337
  • 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 SA95-0337 available by request