C684-0075 Screening compound: N~1~-[2-(diethylamino)ethyl]-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

C684-0075 Screening compound: N~1~-[2-(diethylamino)ethyl]-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide
C684-0075 Screening compound: N~1~-[2-(diethylamino)ethyl]-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 C684-0075
N~1~-[2-(diethylamino)ethyl]-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

C684-0075

Molecular Formula

C26H30N8O (C26 H30 N8 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCNC(CCCc1nnc2n3nc(-c4ccccc4)nc3c(cccc3)c3n12)=O

InChI

InChI=1S/C26H30N8O/c1-3-32(4-2)18-17-27-23(35)16-10-15-22-29-30-26-33(22)21-14-9-8-13-20(21)25-28-24(31-34(25)26)19-11-6-5-7-12-19/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,27,35)

InChI Key

SJDGYHNLCZOGEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.560

Distribution Coefficient, logD

0.713

Water Solubility, LogSw

-2.75

Polar Surface Area

72.365

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C684-0075 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C684-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0075?
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What is the minimum amount of C684-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0075
  • 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 C684-0075 available by request