F514-0014 Screening compound: N-(PYRIDIN-4-YL)-3-[5-(PYRROLIDINE-1-SULFONYL)-1H-1,2,3-BENZOTRIAZOL-1-YL]PROPANAMIDE

F514-0014 Screening compound: N-(PYRIDIN-4-YL)-3-[5-(PYRROLIDINE-1-SULFONYL)-1H-1,2,3-BENZOTRIAZOL-1-YL]PROPANAMIDE
F514-0014 Screening compound: N-(PYRIDIN-4-YL)-3-[5-(PYRROLIDINE-1-SULFONYL)-1H-1,2,3-BENZOTRIAZOL-1-YL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound F514-0014
N-(PYRIDIN-4-YL)-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

F514-0014

Molecular Formula

C18H20N6O3S (C18 H20 N6 O3 S)

Compound Name

N-(PYRIDIN-4-YL)-3-[5-(PYRROLIDINE-1-SULFONYL)-1H-1,2,3-BENZOTRIAZOL-1-YL]PROPANAMIDE

IUPAC name

N-(pyridin-4-yl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]propanamide

SMILES

O=C(CCn1nnc2c1ccc(S(N1CCCC1)(=O)=O)c2)Nc1ccncc1

InChI

InChI=1S/C18H20N6O3S/c25-18(20-14-5-8-19-9-6-14)7-12-24-17-4-3-15(13-16(17)21-22-24)28(26,27)23-10-1-2-11-23/h3-6,8-9,13H,1-2,7,10-12H2,(H,19,20,25)

InChI Key

PQQPIKVDQIUYMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.932

Distribution Coefficient, logD

0.857

Water Solubility, LogSw

-2.12

Polar Surface Area

90.297

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F514-0014 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F514-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F514-0014?
Check Price and Availability of F514-0014, 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 F514-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F514-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F514-0014
  • 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 F514-0014 available by request