SA94-0088 Screening compound: N3-benzyl-N1-(3,4-dimethoxyphenyl)-3-fluoropyrrolidine-1,3-dicarboxamide

SA94-0088 Screening compound: N3-benzyl-N1-(3,4-dimethoxyphenyl)-3-fluoropyrrolidine-1,3-dicarboxamide
SA94-0088 Screening compound: N3-benzyl-N1-(3,4-dimethoxyphenyl)-3-fluoropyrrolidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA94-0088
N3-benzyl-N1-(3,4-dimethoxyphenyl)-3-fluoropyrrolidine-1,3-dicarboxamide

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

SA94-0088

Molecular Formula

C21H24FN3O4 (C21 H24 FN3 O4)

Compound Name

N3-benzyl-N1-(3,4-dimethoxyphenyl)-3-fluoropyrrolidine-1,3-dicarboxamide

IUPAC name

N3-benzyl-N1-(34-dimethoxyphenyl)-3-fluoropyrrolidine-13-dicarboxamide

SMILES

COc(ccc(NC(N(CC1)CC1(C(NCc1ccccc1)=O)F)=O)c1)c1OC

InChI

InChI=1S/C21H24FN3O4/c1-28-17-9-8-16(12-18(17)29-2)24-20(27)25-11-10-21(22,14-25)19(26)23-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,26)(H,24,27)/t21-/m0/s1

InChI Key

PGQABXQZPOGCBA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32245172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.425

Distribution Coefficient, logD

2.424

Water Solubility, LogSw

-3.06

Polar Surface Area

65.681

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

SA94-0088 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with SA94-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA94-0088?
Check Price and Availability of SA94-0088, 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 SA94-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA94-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA94-0088
  • 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 SA94-0088 available by request