C684-0110 Screening compound: 1-[4-(4-methoxyphenyl)piperazino]-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-1-butanone

C684-0110 Screening compound: 1-[4-(4-methoxyphenyl)piperazino]-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-1-butanone
C684-0110 Screening compound: 1-[4-(4-methoxyphenyl)piperazino]-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C684-0110
1-[4-(4-methoxyphenyl)piperazino]-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-1-butanone

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

C684-0110

Molecular Formula

C31H30N8O2 (C31 H30 N8 O2)

Compound Name

1-[4-(4-methoxyphenyl)piperazino]-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-1-butanone

IUPAC name

1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-{9-phenyl-2457810-hexaazatetracyclo[10.4.0.0^{26}.0^{711}]hexadeca-1(16)358101214-heptaen-3-yl}butan-1-one

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CCCc1nnc2n3nc(-c4ccccc4)nc3c(cccc3)c3n12)=O

InChI

InChI=1S/C31H30N8O2/c1-41-24-16-14-23(15-17-24)36-18-20-37(21-19-36)28(40)13-7-12-27-33-34-31-38(27)26-11-6-5-10-25(26)30-32-29(35-39(30)31)22-8-3-2-4-9-22/h2-6,8-11,14-17H,7,12-13,18-21H2,1H3

InChI Key

WIYNQNGDRJTPPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.534

Water Solubility, LogSw

-4.09

Polar Surface Area

71.566

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

C684-0110 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C684-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0110?
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What is the minimum amount of C684-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0110
  • 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 C684-0110 available by request