SA94-0001 Screening compound: N-benzyl-3-fluoropyrrolidine-3-carboxamide

SA94-0001 Screening compound: N-benzyl-3-fluoropyrrolidine-3-carboxamide
SA94-0001 Screening compound: N-benzyl-3-fluoropyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA94-0001
N-benzyl-3-fluoropyrrolidine-3-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

SA94-0001

Molecular Formula

C12H15FN2O (C12 H15 FN2 O)

Compound Name

N-benzyl-3-fluoropyrrolidine-3-carboxamide

IUPAC name

N-benzyl-3-fluoropyrrolidine-3-carboxamide

SMILES

O=C(C1(CNCC1)F)NCc1ccccc1

InChI

InChI=1S/C12H15FN2O/c13-12(6-7-14-9-12)11(16)15-8-10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H,15,16)/t12-/m0/s1

InChI Key

HPNGQLWLWVRTJN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD32200508

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

222.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.102

Distribution Coefficient, logD

-1.407

Water Solubility, LogSw

-1.53

Polar Surface Area

37.102

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

SA94-0001 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with SA94-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA94-0001?
Check Price and Availability of SA94-0001, 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 SA94-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA94-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA94-0001
  • 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 SA94-0001 available by request