C684-0073 Screening compound: N~1~-(2-furylmethyl)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

C684-0073 Screening compound: N~1~-(2-furylmethyl)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide
C684-0073 Screening compound: N~1~-(2-furylmethyl)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C684-0073
N~1~-(2-furylmethyl)-4-(10-phenyldi[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

C684-0073

Molecular Formula

C25H21N7O2 (C25 H21 N7 O2)

Compound Name

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

IUPAC name

N-[(furan-2-yl)methyl]-4-{9-phenyl-2457810-hexaazatetracyclo[10.4.0.0^{26}.0^{711}]hexadeca-1(16)358101214-heptaen-3-yl}butanamide

SMILES

O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c(cccc3)c3n12)NCc1ccco1

InChI

InChI=1S/C25H21N7O2/c33-22(26-16-18-10-7-15-34-18)14-6-13-21-28-29-25-31(21)20-12-5-4-11-19(20)24-27-23(30-32(24)25)17-8-2-1-3-9-17/h1-5,7-12,15H,6,13-14,16H2,(H,26,33)

InChI Key

ZGIQSHXZGUUKCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.253

Distribution Coefficient, logD

2.840

Water Solubility, LogSw

-3.37

Polar Surface Area

76.590

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C684-0073 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C684-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0073?
Check Price and Availability of C684-0073, 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 C684-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0073
  • 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 C684-0073 available by request