SB14-0966 Screening compound: N-[1-(5-chloro-2-fluorobenzoyl)pyrrolidin-3-yl]-N-(oxan-4-yl)cyclopropanecarboxamide

SB14-0966 Screening compound: N-[1-(5-chloro-2-fluorobenzoyl)pyrrolidin-3-yl]-N-(oxan-4-yl)cyclopropanecarboxamide
SB14-0966 Screening compound: N-[1-(5-chloro-2-fluorobenzoyl)pyrrolidin-3-yl]-N-(oxan-4-yl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB14-0966
N-[1-(5-chloro-2-fluorobenzoyl)pyrrolidin-3-yl]-N-(oxan-4-yl)cyclopropanecarboxamide

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

SB14-0966

Molecular Formula

C20H24ClFN2O3 (C20 H24 ClFN2 O3)

Compound Name

N-[1-(5-chloro-2-fluorobenzoyl)pyrrolidin-3-yl]-N-(oxan-4-yl)cyclopropanecarboxamide

IUPAC name

N-[1-(5-chloro-2-fluorobenzoyl)pyrrolidin-3-yl]-N-(oxan-4-yl)cyclopropanecarboxamide

SMILES

O=C(C1CC1)N(C(CC1)CN1C(c(cc(cc1)Cl)c1F)=O)C1CCOCC1

InChI

InChI=1S/C20H24ClFN2O3/c21-14-3-4-18(22)17(11-14)20(26)23-8-5-16(12-23)24(19(25)13-1-2-13)15-6-9-27-10-7-15/h3-4,11,13,15-16H,1-2,5-10,12H2/t16-/m1/s1

InChI Key

RZZVTPMCRAOXRA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32246219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.800

Distribution Coefficient, logD

2.800

Water Solubility, LogSw

-3.59

Polar Surface Area

39.963

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

SB14-0966 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB14-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB14-0966?
Check Price and Availability of SB14-0966, 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 SB14-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB14-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB14-0966
  • 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 SB14-0966 available by request