C684-0057 Screening compound: N~1~-[3-(ethyl-3-methylanilino)propyl]-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

C684-0057 Screening compound: N~1~-[3-(ethyl-3-methylanilino)propyl]-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide
C684-0057 Screening compound: N~1~-[3-(ethyl-3-methylanilino)propyl]-4-(10-methyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C684-0057
N~1~-[3-(ethyl-3-methylanilino)propyl]-4-(10-methyldi[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

C684-0057

Molecular Formula

C27H32N8O (C27 H32 N8 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNC(CCCc1nnc2n3nc(C)nc3c(cccc3)c3n12)=O)c1cc(C)ccc1

InChI

InChI=1S/C27H32N8O/c1-4-33(21-11-7-10-19(2)18-21)17-9-16-28-25(36)15-8-14-24-30-31-27-34(24)23-13-6-5-12-22(23)26-29-20(3)32-35(26)27/h5-7,10-13,18H,4,8-9,14-17H2,1-3H3,(H,28,36)

InChI Key

JGPNHUYQTIPVLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.674

Distribution Coefficient, logD

1.918

Water Solubility, LogSw

-2.90

Polar Surface Area

71.557

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with C684-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0057?
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What is the minimum amount of C684-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0057
  • 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 C684-0057 available by request