C718-2380 Screening compound: ethyl 1-[7-chloro-3-(3,4-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine-3-carboxylate

C718-2380 Screening compound: ethyl 1-[7-chloro-3-(3,4-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine-3-carboxylate
C718-2380 Screening compound: ethyl 1-[7-chloro-3-(3,4-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2380
ethyl 1-[7-chloro-3-(3,4-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine-3-carboxylate

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

C718-2380

Molecular Formula

C25H26ClN5O4S (C25 H26 ClN5 O4 S)

Compound Name

ethyl 1-[7-chloro-3-(3,4-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[7-chloro-3-(34-dimethylbenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1c(c(cc(cc1)Cl)c1n1nn2)nc1c2S(c1cc(C)c(C)cc1)(=O)=O)=O

InChI

InChI=1S/C25H26ClN5O4S/c1-4-35-25(32)17-6-5-11-30(14-17)22-20-13-18(26)8-10-21(20)31-23(27-22)24(28-29-31)36(33,34)19-9-7-15(2)16(3)12-19/h7-10,12-13,17H,4-6,11,14H2,1-3H3/t17-/m0/s1

InChI Key

UXHQKCSNIPDLFV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08569183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.03

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.600

Distribution Coefficient, logD

5.600

Water Solubility, LogSw

-5.82

Polar Surface Area

85.815

Acid Dissociation Constant (pKa)

21.10

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

C718-2380 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C718-2380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2380?
Check Price and Availability of C718-2380, 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 C718-2380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2380
  • 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 C718-2380 available by request