C718-2687 Screening compound: 1-benzyl-N-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidin-4-amine

C718-2687 Screening compound: 1-benzyl-N-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidin-4-amine
C718-2687 Screening compound: 1-benzyl-N-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2687
1-benzyl-N-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidin-4-amine

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

C718-2687

Molecular Formula

C27H25BrN6O2S (C27 H25 BrN6 O2 S)

Compound Name

1-benzyl-N-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidin-4-amine

IUPAC name

1-benzyl-N-[3-(4-bromobenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]piperidin-4-amine

SMILES

O=S(c(nnn1c2c3cccc2)c1nc3NC1CCN(Cc2ccccc2)CC1)(c(cc1)ccc1Br)=O

InChI

InChI=1S/C27H25BrN6O2S/c28-20-10-12-22(13-11-20)37(35,36)27-26-30-25(23-8-4-5-9-24(23)34(26)32-31-27)29-21-14-16-33(17-15-21)18-19-6-2-1-3-7-19/h1-13,21H,14-18H2,(H,29,30)

InChI Key

LJGBUEYKBGMOIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.407

Distribution Coefficient, logD

4.751

Water Solubility, LogSw

-6.05

Polar Surface Area

75.883

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C718-2687 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C718-2687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2687?
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What is the minimum amount of C718-2687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2687
  • 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 C718-2687 available by request