F514-0132 Screening compound: N-[3-(pyrrolidin-1-yl)propyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propanamide

F514-0132 Screening compound: N-[3-(pyrrolidin-1-yl)propyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propanamide
F514-0132 Screening compound: N-[3-(pyrrolidin-1-yl)propyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F514-0132
N-[3-(pyrrolidin-1-yl)propyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propanamide

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

F514-0132

Molecular Formula

C20H30N6O3S (C20 H30 N6 O3 S)

Compound Name

N-[3-(pyrrolidin-1-yl)propyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propanamide

IUPAC name

N-[3-(pyrrolidin-1-yl)propyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]propanamide

SMILES

O=C(CCn1nnc2c1ccc(S(N1CCCC1)(=O)=O)c2)NCCCN1CCCC1

InChI

InChI=1S/C20H30N6O3S/c27-20(21-9-5-12-24-10-1-2-11-24)8-15-26-19-7-6-17(16-18(19)22-23-26)30(28,29)25-13-3-4-14-25/h6-7,16H,1-5,8-15H2,(H,21,27)

InChI Key

KFKDFIKZWNXQCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.591

Distribution Coefficient, logD

-2.499

Water Solubility, LogSw

-2.39

Polar Surface Area

86.381

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

F514-0132 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with F514-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F514-0132?
Check Price and Availability of F514-0132, 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 F514-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F514-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F514-0132
  • 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 F514-0132 available by request