D461-0417 Screening compound: 11-allyl-6-ethyl-6-methyl-9-[(2-methylallyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

D461-0417 Screening compound: 11-allyl-6-ethyl-6-methyl-9-[(2-methylallyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
D461-0417 Screening compound: 11-allyl-6-ethyl-6-methyl-9-[(2-methylallyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D461-0417
11-allyl-6-ethyl-6-methyl-9-[(2-methylallyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

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

D461-0417

Molecular Formula

C23H26N4OS (C23 H26 N4 OS)

Compound Name

11-allyl-6-ethyl-6-methyl-9-[(2-methylallyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

IUPAC name

9-ethyl-9-methyl-13-[(2-methylprop-2-en-1-yl)sulfanyl]-15-(prop-2-en-1-yl)-12141517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351316-hexaen-11-one

SMILES

CCC(C)(Cc1c2cccc1)C1=C2N=C(N(CC=C)N=C2SCC(C)=C)N2C1=O

InChI

InChI=1S/C23H26N4OS/c1-6-12-26-21-24-19-17-11-9-8-10-16(17)13-23(5,7-2)18(19)20(28)27(21)22(25-26)29-14-15(3)4/h6,8-11H,1,3,7,12-14H2,2,4-5H3/t23-/m0/s1

InChI Key

CRUMVOJGAKTSSN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14829922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.182

Distribution Coefficient, logD

5.181

Water Solubility, LogSw

-5.04

Polar Surface Area

42.818

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with D461-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D461-0417?
Check Price and Availability of D461-0417, 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 D461-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D461-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D461-0417
  • 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 D461-0417 available by request