C684-0136 Screening compound: 4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-N~1~-(2-phenylpropyl)butanamide

C684-0136 Screening compound: 4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-N~1~-(2-phenylpropyl)butanamide
C684-0136 Screening compound: 4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-N~1~-(2-phenylpropyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C684-0136
4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)-N~1~-(2-phenylpropyl)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

C684-0136

Molecular Formula

C29H27N7O (C29 H27 N7 O)

Compound Name

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

IUPAC name

4-{9-phenyl-2457810-hexaazatetracyclo[10.4.0.0^{26}.0^{711}]hexadeca-1(16)358101214-heptaen-3-yl}-N-(2-phenylpropyl)butanamide

SMILES

CC(CNC(CCCc1nnc2n3nc(-c4ccccc4)nc3c(cccc3)c3n12)=O)c1ccccc1

InChI

InChI=1S/C29H27N7O/c1-20(21-11-4-2-5-12-21)19-30-26(37)18-10-17-25-32-33-29-35(25)24-16-9-8-15-23(24)28-31-27(34-36(28)29)22-13-6-3-7-14-22/h2-9,11-16,20H,10,17-19H2,1H3,(H,30,37)/t20-/m0/s1

InChI Key

DJBDDJFJWMZSEL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14782765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.347

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-4.32

Polar Surface Area

68.841

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

C684-0136 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C684-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0136?
Check Price and Availability of C684-0136, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C684-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0136
  • 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 C684-0136 available by request