D692-0486 Screening compound: N-(2-chloro-4-methylphenyl)-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

D692-0486 Screening compound: N-(2-chloro-4-methylphenyl)-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
D692-0486 Screening compound: N-(2-chloro-4-methylphenyl)-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D692-0486
N-(2-chloro-4-methylphenyl)-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

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

D692-0486

Molecular Formula

C22H16ClN5O2S (C22 H16 ClN5 O2 S)

Compound Name

N-(2-chloro-4-methylphenyl)-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

IUPAC name

N-(2-chloro-4-methylphenyl)-2-{[5-(furan-2-yl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}acetamide

SMILES

Cc(cc1)cc(Cl)c1NC(CSc1nnc2n1c(-c1ccco1)nc1c2cccc1)=O

InChI

InChI=1S/C22H16ClN5O2S/c1-13-8-9-17(15(23)11-13)24-19(29)12-31-22-27-26-20-14-5-2-3-6-16(14)25-21(28(20)22)18-7-4-10-30-18/h2-11H,12H2,1H3,(H,24,29)

InChI Key

AAHOQQRZCXMOPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.533

Water Solubility, LogSw

-4.50

Polar Surface Area

61.340

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D692-0486 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D692-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D692-0486?
Check Price and Availability of D692-0486, 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 D692-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D692-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D692-0486
  • 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 D692-0486 available by request