C718-2664 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-2664 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-2664 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2664
3-(4-bromobenzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-[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

C718-2664

Molecular Formula

C23H18BrN5O3S (C23 H18 BrN5 O3 S)

Compound Name

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

IUPAC name

3-(4-bromobenzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-[123]triazolo[15-a]quinazolin-5-amine

SMILES

COc1ccc(CNc(c(cccc2)c2n2nn3)nc2c3S(c(cc2)ccc2Br)(=O)=O)cc1

InChI

InChI=1S/C23H18BrN5O3S/c1-32-17-10-6-15(7-11-17)14-25-21-19-4-2-3-5-20(19)29-22(26-21)23(27-28-29)33(30,31)18-12-8-16(24)9-13-18/h2-13H,14H2,1H3,(H,25,26)

InChI Key

FJQPCOIUQDWGOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.4

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

4.983

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-4.90

Polar Surface Area

80.161

Acid Dissociation Constant (pKa)

18.63

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C718-2664 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 C718-2664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2664?
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What is the minimum amount of C718-2664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2664
  • 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 C718-2664 available by request