7102-0346 Screening compound: 1,3-dimethyl 5-[2-(3-oxo-decahydroquinoxalin-2-yl)acetamido]benzene-1,3-dicarboxylate

7102-0346 Screening compound: 1,3-dimethyl 5-[2-(3-oxo-decahydroquinoxalin-2-yl)acetamido]benzene-1,3-dicarboxylate
7102-0346 Screening compound: 1,3-dimethyl 5-[2-(3-oxo-decahydroquinoxalin-2-yl)acetamido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7102-0346
1,3-dimethyl 5-[2-(3-oxo-decahydroquinoxalin-2-yl)acetamido]benzene-1,3-dicarboxylate

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

7102-0346

Molecular Formula

C20H25N3O6 (C20 H25 N3 O6)

Compound Name

1,3-dimethyl 5-[2-(3-oxo-decahydroquinoxalin-2-yl)acetamido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[2-(3-oxo-decahydroquinoxalin-2-yl)acetamido]benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(CC2NC(CCCC3)C3NC2=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C20H25N3O6/c1-28-19(26)11-7-12(20(27)29-2)9-13(8-11)21-17(24)10-16-18(25)23-15-6-4-3-5-14(15)22-16/h7-9,14-16,22H,3-6,10H2,1-2H3,(H,21,24)(H,23,25)

InChI Key

YGZSNFKLHOULJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04163070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.338

Distribution Coefficient, logD

1.801

Water Solubility, LogSw

-2.66

Polar Surface Area

104.007

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

7102-0346 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7102-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7102-0346?
Check Price and Availability of 7102-0346, 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 7102-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7102-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7102-0346
  • 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 7102-0346 available by request