S724-0510 Screening compound: 2-({3-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}methyl)benzonitrile

S724-0510 Screening compound: 2-({3-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}methyl)benzonitrile
S724-0510 Screening compound: 2-({3-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-0510
2-({3-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}methyl)benzonitrile

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

S724-0510

Molecular Formula

C18H20N6O (C18 H20 N6 O)

Compound Name

2-({3-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}methyl)benzonitrile

IUPAC name

2-({3-[4-(pyrrolidine-1-carbonyl)-1H-123-triazol-1-yl]azetidin-1-yl}methyl)benzonitrile

SMILES

N#Cc1c(CN(C2)CC2n2nnc(C(N3CCCC3)=O)c2)cccc1

InChI

InChI=1S/C18H20N6O/c19-9-14-5-1-2-6-15(14)10-22-11-16(12-22)24-13-17(20-21-24)18(25)23-7-3-4-8-23/h1-2,5-6,13,16H,3-4,7-8,10-12H2

InChI Key

IYQRJIBKWMAWGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.129

Distribution Coefficient, logD

0.738

Water Solubility, LogSw

-2.05

Polar Surface Area

64.246

Acid Dissociation Constant (pKa)

24.33

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

S724-0510 in Drug Discovery

Included in Screening Libraries

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S724-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-0510?
Check Price and Availability of S724-0510, 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 S724-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-0510
  • 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 S724-0510 available by request