H027-5004C Screening compound: ethyl (4aS,8R,8aR)-8-(1-ethylpropoxy)-2-oxo-1,2,3,4,4a,5,8,8a-octahydro-6-quinoxalinecarboxylate

H027-5004C Screening compound: ethyl (4aS,8R,8aR)-8-(1-ethylpropoxy)-2-oxo-1,2,3,4,4a,5,8,8a-octahydro-6-quinoxalinecarboxylate
H027-5004C Screening compound: ethyl (4aS,8R,8aR)-8-(1-ethylpropoxy)-2-oxo-1,2,3,4,4a,5,8,8a-octahydro-6-quinoxalinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-5004C
ethyl (4aS,8R,8aR)-8-(1-ethylpropoxy)-2-oxo-1,2,3,4,4a,5,8,8a-octahydro-6-quinoxalinecarboxylate

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

H027-5004C

Molecular Formula

C16H26N2O4 (C16 H26 N2 O4)

Compound Name

ethyl (4aS,8R,8aR)-8-(1-ethylpropoxy)-2-oxo-1,2,3,4,4a,5,8,8a-octahydro-6-quinoxalinecarboxylate

IUPAC name

ethyl (4aS8R8aR)-2-oxo-8-(pentan-3-yloxy)-12344a588a-octahydroquinoxaline-6-carboxylate

SMILES

CCC(CC)O[C@@H]([C@@H]([C@H](C1)NC2)NC2=O)C=C1C(OCC)=O

InChI

InChI=1S/C16H26N2O4/c1-4-11(5-2)22-13-8-10(16(20)21-6-3)7-12-15(13)18-14(19)9-17-12/h8,11-13,15,17H,4-7,9H2,1-3H3,(H,18,19)/t12-,13-,15-/m1/s1

InChI Key

OTGGKGYDZUACFC-UMVBOHGHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

H3PO4

Molecular Weight

310.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.486

Distribution Coefficient, logD

1.140

Water Solubility, LogSw

-1.54

Polar Surface Area

64.898

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

75.00

References: we are preparing a list of scientific research reports with H027-5004C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-5004C?
Check Price and Availability of H027-5004C, 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 H027-5004C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-5004C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-5004C
  • 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 H027-5004C available by request