SA94-0061 Screening compound: N3-benzyl-N1-ethyl-3-fluoropyrrolidine-1,3-dicarboxamide

SA94-0061 Screening compound: N3-benzyl-N1-ethyl-3-fluoropyrrolidine-1,3-dicarboxamide
SA94-0061 Screening compound: N3-benzyl-N1-ethyl-3-fluoropyrrolidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA94-0061
N3-benzyl-N1-ethyl-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

SA94-0061

Molecular Formula

C15H20FN3O2 (C15 H20 FN3 O2)

Compound Name

N3-benzyl-N1-ethyl-3-fluoropyrrolidine-1,3-dicarboxamide

IUPAC name

N3-benzyl-N1-ethyl-3-fluoropyrrolidine-13-dicarboxamide

SMILES

CCNC(N(CC1)CC1(C(NCc1ccccc1)=O)F)=O

InChI

InChI=1S/C15H20FN3O2/c1-2-17-14(21)19-9-8-15(16,11-19)13(20)18-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,21)(H,18,20)/t15-/m0/s1

InChI Key

URZGSLBIWZKOMY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32244937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-2.08

Polar Surface Area

51.640

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

SA94-0061 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA94-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA94-0061?
Check Price and Availability of SA94-0061, 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 SA94-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA94-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA94-0061
  • 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 SA94-0061 available by request