SA99-1339 Screening compound: 1-(4-bromo-2-fluorobenzyl)-4-propyl-4-piperidinecarboxamide

SA99-1339 Screening compound: 1-(4-bromo-2-fluorobenzyl)-4-propyl-4-piperidinecarboxamide
SA99-1339 Screening compound: 1-(4-bromo-2-fluorobenzyl)-4-propyl-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA99-1339
1-(4-bromo-2-fluorobenzyl)-4-propyl-4-piperidinecarboxamide

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

SA99-1339

Molecular Formula

C16H22BrFN2O (C16 H22 BrFN2 O)

Compound Name

1-(4-bromo-2-fluorobenzyl)-4-propyl-4-piperidinecarboxamide

IUPAC name

1-[(4-bromo-2-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide

SMILES

CCCC1(CCN(Cc(ccc(Br)c2)c2F)CC1)C(N)=O

InChI

InChI=1S/C16H22BrFN2O/c1-2-5-16(15(19)21)6-8-20(9-7-16)11-12-3-4-13(17)10-14(12)18/h3-4,10H,2,5-9,11H2,1H3,(H2,19,21)

InChI Key

JVUCCTPUBIMMIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32245236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.618

Distribution Coefficient, logD

2.570

Water Solubility, LogSw

-3.73

Polar Surface Area

38.030

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

SA99-1339 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA99-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA99-1339?
Check Price and Availability of SA99-1339, 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 SA99-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA99-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA99-1339
  • 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 SA99-1339 available by request