C684-0117 Screening compound: 3-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-10-phenylbis[1,2,4]triazolo[1,5-c:4',3'-a]quinazoline

C684-0117 Screening compound: 3-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-10-phenylbis[1,2,4]triazolo[1,5-c:4',3'-a]quinazoline
C684-0117 Screening compound: 3-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-10-phenylbis[1,2,4]triazolo[1,5-c:4',3'-a]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C684-0117
3-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-10-phenylbis[1,2,4]triazolo[1,5-c:4',3'-a]quinazoline

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

C684-0117

Molecular Formula

C30H34N8O (C30 H34 N8 O)

Compound Name

3-[4-(1,4'-bipiperidin-1'-yl)-4-oxobutyl]-10-phenylbis[1,2,4]triazolo[1,5-c:4',3'-a]quinazoline

IUPAC name

1-{[14'-bipiperidin]-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)CCC1N1CCCCC1

InChI

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

InChI Key

APYIIRIFNVBFRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782746

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

3.556

Distribution Coefficient, logD

0.001

Water Solubility, LogSw

-3.63

Polar Surface Area

63.855

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

C684-0117 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Targeted Diversity Library (40567 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 C684-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0117?
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What is the minimum amount of C684-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0117
  • 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 C684-0117 available by request