C684-0115 Screening compound: N~1~-[3-(ethylanilino)propyl]-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

C684-0115 Screening compound: N~1~-[3-(ethylanilino)propyl]-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide
C684-0115 Screening compound: N~1~-[3-(ethylanilino)propyl]-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 C684-0115
N~1~-[3-(ethylanilino)propyl]-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

C684-0115

Molecular Formula

C31H32N8O (C31 H32 N8 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNC(CCCc1nnc2n3nc(-c4ccccc4)nc3c(cccc3)c3n12)=O)c1ccccc1

InChI

InChI=1S/C31H32N8O/c1-2-37(24-15-7-4-8-16-24)22-12-21-32-28(40)20-11-19-27-34-35-31-38(27)26-18-10-9-17-25(26)30-33-29(36-39(30)31)23-13-5-3-6-14-23/h3-10,13-18H,2,11-12,19-22H2,1H3,(H,32,40)

InChI Key

BVNVVAXFOUZZON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.050

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-3.90

Polar Surface Area

71.672

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

C684-0115 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C684-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0115?
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What is the minimum amount of C684-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0115
  • 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 C684-0115 available by request