C718-2660 Screening compound: 1-(3-{[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one

C718-2660 Screening compound: 1-(3-{[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one
C718-2660 Screening compound: 1-(3-{[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2660
1-(3-{[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one

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

C718-2660

Molecular Formula

C22H21BrN6O3S (C22 H21 BrN6 O3 S)

Compound Name

1-(3-{[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one

IUPAC name

1-(3-{[3-(4-bromobenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one

SMILES

O=C1N(CCCNc(c(cccc2)c2n2nn3)nc2c3S(c(cc2)ccc2Br)(=O)=O)CCC1

InChI

InChI=1S/C22H21BrN6O3S/c23-15-8-10-16(11-9-15)33(31,32)22-21-25-20(24-12-4-14-28-13-3-7-19(28)30)17-5-1-2-6-18(17)29(21)27-26-22/h1-2,5-6,8-11H,3-4,7,12-14H2,(H,24,25)

InChI Key

ALPBOUKITXBOCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.247

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-3.54

Polar Surface Area

89.971

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C718-2660 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C718-2660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2660?
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What is the minimum amount of C718-2660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2660
  • 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 C718-2660 available by request