C684-0132 Screening compound: 1-[4-(3-methoxyphenyl)piperazino]-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-1-butanone

C684-0132 Screening compound: 1-[4-(3-methoxyphenyl)piperazino]-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-1-butanone
C684-0132 Screening compound: 1-[4-(3-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 C684-0132
1-[4-(3-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

C684-0132

Molecular Formula

C31H30N8O2 (C31 H30 N8 O2)

Compound Name

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

IUPAC name

1-[4-(3-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

COc1cccc(N(CC2)CCN2C(CCCc2nnc3n4nc(-c5ccccc5)nc4c(cccc4)c4n23)=O)c1

InChI

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

InChI Key

XQYNYJWDKJYJIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782761

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

3.951

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-4.21

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

References: we are preparing a list of scientific research reports with C684-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0132?
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What is the minimum amount of C684-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0132
  • 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 C684-0132 available by request