C718-2665 Screening compound: 1-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-ethylpiperazine

C718-2665 Screening compound: 1-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-ethylpiperazine
C718-2665 Screening compound: 1-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2665
1-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-ethylpiperazine

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

C718-2665

Molecular Formula

C21H21BrN6O2S (C21 H21 BrN6 O2 S)

Compound Name

1-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-ethylpiperazine

IUPAC name

1-[3-(4-bromobenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]-4-ethylpiperazine

SMILES

CCN(CC1)CCN1c(c(cccc1)c1n1nn2)nc1c2S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C21H21BrN6O2S/c1-2-26-11-13-27(14-12-26)19-17-5-3-4-6-18(17)28-20(23-19)21(24-25-28)31(29,30)16-9-7-15(22)8-10-16/h3-10H,2,11-14H2,1H3

InChI Key

RUPDSPXJIRUOSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.205

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-4.01

Polar Surface Area

68.665

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C718-2665 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C718-2665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2665?
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What is the minimum amount of C718-2665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2665
  • 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 C718-2665 available by request