C718-2702 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-2702 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-2702 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2702
3-(4-bromobenzenesulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-[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

C718-2702

Molecular Formula

C27H26BrN5O4S (C27 H26 BrN5 O4 S)

Compound Name

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

IUPAC name

3-(4-bromobenzenesulfonyl)-N-[2-(34-diethoxyphenyl)ethyl]-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CCOc(ccc(CCNc(c(cccc1)c1n1nn2)nc1c2S(c(cc1)ccc1Br)(=O)=O)c1)c1OCC

InChI

InChI=1S/C27H26BrN5O4S/c1-3-36-23-14-9-18(17-24(23)37-4-2)15-16-29-25-21-7-5-6-8-22(21)33-26(30-25)27(31-32-33)38(34,35)20-12-10-19(28)11-13-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)

InChI Key

CVJBTNVLPZZMIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.74

Polar Surface Area

86.879

Acid Dissociation Constant (pKa)

18.99

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C718-2702 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C718-2702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2702?
Check Price and Availability of C718-2702, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C718-2702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2702
  • 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 C718-2702 available by request