C718-2680 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(4-phenylbutan-2-yl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-2680 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(4-phenylbutan-2-yl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-2680 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(4-phenylbutan-2-yl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2680
3-(4-bromobenzenesulfonyl)-N-(4-phenylbutan-2-yl)-[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

C718-2680

Molecular Formula

C25H22BrN5O2S (C25 H22 BrN5 O2 S)

Compound Name

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

IUPAC name

3-(4-bromobenzenesulfonyl)-N-(4-phenylbutan-2-yl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CC(CCc1ccccc1)Nc(c(cccc1)c1n1nn2)nc1c2S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C25H22BrN5O2S/c1-17(11-12-18-7-3-2-4-8-18)27-23-21-9-5-6-10-22(21)31-24(28-23)25(29-30-31)34(32,33)20-15-13-19(26)14-16-20/h2-10,13-17H,11-12H2,1H3,(H,27,28)/t17-/m0/s1

InChI Key

MZJXBHARXFJIFC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06751278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.250

Distribution Coefficient, logD

6.250

Water Solubility, LogSw

-5.94

Polar Surface Area

72.058

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

C718-2680 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C718-2680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2680?
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What is the minimum amount of C718-2680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2680
  • 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 C718-2680 available by request