7287-0225 Screening compound: methyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-5-ethylthiophene-3-carboxylate

7287-0225 Screening compound: methyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-5-ethylthiophene-3-carboxylate
7287-0225 Screening compound: methyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-5-ethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0225
methyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-5-ethylthiophene-3-carboxylate

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

7287-0225

Molecular Formula

C20H23N3O4S (C20 H23 N3 O4 S)

Compound Name

methyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-5-ethylthiophene-3-carboxylate

IUPAC name

methyl 2-[2-(67-dimethyl-3-oxo-1234-tetrahydroquinoxalin-2-yl)acetamido]-5-ethylthiophene-3-carboxylate

SMILES

CCc1cc(C(OC)=O)c(NC(CC2Nc(cc(C)c(C)c3)c3NC2=O)=O)s1

InChI

InChI=1S/C20H23N3O4S/c1-5-12-8-13(20(26)27-4)19(28-12)23-17(24)9-16-18(25)22-15-7-11(3)10(2)6-14(15)21-16/h6-8,16,21H,5,9H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1

InChI Key

ANCCJIYVXCZYBX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04212828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.521

Distribution Coefficient, logD

1.639

Water Solubility, LogSw

-3.63

Polar Surface Area

81.215

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

7287-0225 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7287-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0225?
Check Price and Availability of 7287-0225, 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 7287-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0225
  • 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 7287-0225 available by request