C718-1068 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-(3-methoxypropyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-1068 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-(3-methoxypropyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-1068 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-(3-methoxypropyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-1068
3-(benzenesulfonyl)-7-chloro-N-(3-methoxypropyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-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

C718-1068

Molecular Formula

C19H18ClN5O3S (C19 H18 ClN5 O3 S)

Compound Name

3-(benzenesulfonyl)-7-chloro-N-(3-methoxypropyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

3-(benzenesulfonyl)-7-chloro-N-(3-methoxypropyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

COCCCNc(c(cc(cc1)Cl)c1n1nn2)nc1c2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C19H18ClN5O3S/c1-28-11-5-10-21-17-15-12-13(20)8-9-16(15)25-18(22-17)19(23-24-25)29(26,27)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,22)

InChI Key

CCWVZAJHYLMFGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-4.22

Polar Surface Area

81.072

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C718-1068 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C718-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-1068?
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What is the minimum amount of C718-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-1068
  • 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 C718-1068 available by request