C684-0116 Screening compound: 4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-N~1~-(3-piperidinopropyl)butanamide

C684-0116 Screening compound: 4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-N~1~-(3-piperidinopropyl)butanamide
C684-0116 Screening compound: 4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-N~1~-(3-piperidinopropyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C684-0116
4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-N~1~-(3-piperidinopropyl)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

C684-0116

Molecular Formula

C28H32N8O (C28 H32 N8 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c(cccc3)c3n12)NCCCN1CCCCC1

InChI

InChI=1S/C28H32N8O/c37-25(29-17-10-20-34-18-7-2-8-19-34)16-9-15-24-31-32-28-35(24)23-14-6-5-13-22(23)27-30-26(33-36(27)28)21-11-3-1-4-12-21/h1,3-6,11-14H,2,7-10,15-20H2,(H,29,37)

InChI Key

QITREPIIRRJKOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

-0.008

Water Solubility, LogSw

-2.97

Polar Surface Area

72.665

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

C684-0116 in Drug Discovery

Included in Screening Libraries

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 C684-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0116?
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What is the minimum amount of C684-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0116
  • 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 C684-0116 available by request