7102-0379 Screening compound: methyl 2-[1-(cyclohexylcarbamoyl)-3-oxo-decahydroquinoxalin-2-yl]acetate

7102-0379 Screening compound: methyl 2-[1-(cyclohexylcarbamoyl)-3-oxo-decahydroquinoxalin-2-yl]acetate
7102-0379 Screening compound: methyl 2-[1-(cyclohexylcarbamoyl)-3-oxo-decahydroquinoxalin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7102-0379
methyl 2-[1-(cyclohexylcarbamoyl)-3-oxo-decahydroquinoxalin-2-yl]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

7102-0379

Molecular Formula

C18H29N3O4 (C18 H29 N3 O4)

Compound Name

methyl 2-[1-(cyclohexylcarbamoyl)-3-oxo-decahydroquinoxalin-2-yl]acetate

IUPAC name

methyl 2-[1-(cyclohexylcarbamoyl)-3-oxo-decahydroquinoxalin-2-yl]acetate

SMILES

COC(CC(C(NC1C2CCCC1)=O)N2C(NC1CCCCC1)=O)=O

InChI

InChI=1S/C18H29N3O4/c1-25-16(22)11-15-17(23)20-13-9-5-6-10-14(13)21(15)18(24)19-12-7-3-2-4-8-12/h12-15H,2-11H2,1H3,(H,19,24)(H,20,23)

InChI Key

XVOGGUSAABMAFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04188403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.893

Distribution Coefficient, logD

1.893

Water Solubility, LogSw

-2.19

Polar Surface Area

71.235

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

83.30

7102-0379 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7102-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7102-0379?
Check Price and Availability of 7102-0379, 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 7102-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7102-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7102-0379
  • 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 7102-0379 available by request