C684-0022 Screening compound: N~1~-(4-chlorobenzyl)-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

C684-0022 Screening compound: N~1~-(4-chlorobenzyl)-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide
C684-0022 Screening compound: N~1~-(4-chlorobenzyl)-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C684-0022
N~1~-(4-chlorobenzyl)-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

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

C684-0022

Molecular Formula

C22H20ClN7O (C22 H20 ClN7 O)

Compound Name

N~1~-(4-chlorobenzyl)-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-4-{9-methyl-2457810-hexaazatetracyclo[10.4.0.0^{26}.0^{711}]hexadeca-1(16)358101214-heptaen-3-yl}butanamide

SMILES

Cc1nn2c3nnc(CCCC(NCc(cc4)ccc4Cl)=O)n3c(cccc3)c3c2n1

InChI

InChI=1S/C22H20ClN7O/c1-14-25-21-17-5-2-3-6-18(17)29-19(26-27-22(29)30(21)28-14)7-4-8-20(31)24-13-15-9-11-16(23)12-10-15/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,24,31)

InChI Key

WBIMQNBBAQZKDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.278

Distribution Coefficient, logD

1.523

Water Solubility, LogSw

-3.24

Polar Surface Area

68.725

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C684-0022 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C684-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0022?
Check Price and Availability of C684-0022, 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 C684-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0022
  • 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 C684-0022 available by request