D461-0270 Screening compound: ethyl 2-[(6-ethyl-6-methyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate

D461-0270 Screening compound: ethyl 2-[(6-ethyl-6-methyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
D461-0270 Screening compound: ethyl 2-[(6-ethyl-6-methyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D461-0270
ethyl 2-[(6-ethyl-6-methyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate

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

D461-0270

Molecular Formula

C23H28N4O3S (C23 H28 N4 O3 S)

Compound Name

ethyl 2-[(6-ethyl-6-methyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate

IUPAC name

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

SMILES

CCCN(C(N12)=NC(c3c(CC4(C)CC)cccc3)=C4C1=O)N=C2SCC(OCC)=O

InChI

InChI=1S/C23H28N4O3S/c1-5-12-26-21-24-19-16-11-9-8-10-15(16)13-23(4,6-2)18(19)20(29)27(21)22(25-26)31-14-17(28)30-7-3/h8-11H,5-7,12-14H2,1-4H3/t23-/m0/s1

InChI Key

COSBRQMMDHPKTL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14829908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.373

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.24

Polar Surface Area

62.977

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

D461-0270 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D461-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D461-0270?
Check Price and Availability of D461-0270, 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 D461-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D461-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D461-0270
  • 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 D461-0270 available by request