C684-0119 Screening compound: N~1~-(1-benzyl-4-piperidyl)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

C684-0119 Screening compound: N~1~-(1-benzyl-4-piperidyl)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide
C684-0119 Screening compound: N~1~-(1-benzyl-4-piperidyl)-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 C684-0119
N~1~-(1-benzyl-4-piperidyl)-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

C684-0119

Molecular Formula

C32H32N8O (C32 H32 N8 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c(cccc3)c3n12)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C32H32N8O/c41-29(33-25-18-20-38(21-19-25)22-23-10-3-1-4-11-23)17-9-16-28-35-36-32-39(28)27-15-8-7-14-26(27)31-34-30(37-40(31)32)24-12-5-2-6-13-24/h1-8,10-15,25H,9,16-22H2,(H,33,41)

InChI Key

HONVUCFNRPOLOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.751

Distribution Coefficient, logD

2.193

Water Solubility, LogSw

-4.09

Polar Surface Area

72.107

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

C684-0119 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C684-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0119?
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What is the minimum amount of C684-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0119
  • 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 C684-0119 available by request