C718-0030 Screening compound: 3-(benzenesulfonyl)-N-(butan-2-yl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-0030 Screening compound: 3-(benzenesulfonyl)-N-(butan-2-yl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-0030 Screening compound: 3-(benzenesulfonyl)-N-(butan-2-yl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0030
3-(benzenesulfonyl)-N-(butan-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

C718-0030

Molecular Formula

C19H19N5O2S (C19 H19 N5 O2 S)

Compound Name

3-(benzenesulfonyl)-N-(butan-2-yl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

3-(benzenesulfonyl)-N-(butan-2-yl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CCC(C)Nc(c(cccc1)c1n1nn2)nc1c2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C19H19N5O2S/c1-3-13(2)20-17-15-11-7-8-12-16(15)24-18(21-17)19(22-23-24)27(25,26)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,20,21)/t13-/m0/s1

InChI Key

JRCQNPVZWMCKNQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD26965863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-3.98

Polar Surface Area

72.330

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

C718-0030 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C718-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0030?
Check Price and Availability of C718-0030, 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 C718-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0030
  • 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 C718-0030 available by request