C684-0103 Screening compound: 1-(4-cyclohexylpiperazino)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-1-butanone

C684-0103 Screening compound: 1-(4-cyclohexylpiperazino)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-1-butanone
C684-0103 Screening compound: 1-(4-cyclohexylpiperazino)-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 C684-0103
1-(4-cyclohexylpiperazino)-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

C684-0103

Molecular Formula

C30H34N8O (C30 H34 N8 O)

Compound Name

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

IUPAC name

1-(4-cyclohexylpiperazin-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

O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c(cccc3)c3n12)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C30H34N8O/c39-27(36-20-18-35(19-21-36)23-12-5-2-6-13-23)17-9-16-26-32-33-30-37(26)25-15-8-7-14-24(25)29-31-28(34-38(29)30)22-10-3-1-4-11-22/h1,3-4,7-8,10-11,14-15,23H,2,5-6,9,12-13,16-21H2

InChI Key

GDOFFEZHZGKLDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.865

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-4.03

Polar Surface Area

63.855

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

C684-0103 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C684-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0103?
Check Price and Availability of C684-0103, 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 C684-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0103
  • 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 C684-0103 available by request