5222-0143 Screening compound: methyl 2-{[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydro-2-quinoxalinyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate

5222-0143 Screening compound: methyl 2-{[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydro-2-quinoxalinyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
5222-0143 Screening compound: methyl 2-{[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydro-2-quinoxalinyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5222-0143
methyl 2-{[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydro-2-quinoxalinyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate

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

5222-0143

Molecular Formula

C20H23N3O4S (C20 H23 N3 O4 S)

Compound Name

methyl 2-{[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydro-2-quinoxalinyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate

IUPAC name

methyl 2-[2-(67-dimethyl-3-oxo-1234-tetrahydroquinoxalin-2-yl)acetamido]-45-dimethylthiophene-3-carboxylate

SMILES

Cc1c(C)sc(NC(CC2Nc(cc(C)c(C)c3)c3NC2=O)=O)c1C(OC)=O

InChI

InChI=1S/C20H23N3O4S/c1-9-6-13-14(7-10(9)2)22-18(25)15(21-13)8-16(24)23-19-17(20(26)27-5)11(3)12(4)28-19/h6-7,15,21H,8H2,1-5H3,(H,22,25)(H,23,24)/t15-/m0/s1

InChI Key

DQGPBJYTMFWQRT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02970516

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

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.284

Distribution Coefficient, logD

0.311

Water Solubility, LogSw

-3.56

Polar Surface Area

81.215

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

5222-0143 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5222-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5222-0143?
Check Price and Availability of 5222-0143, 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 5222-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5222-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5222-0143
  • 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 5222-0143 available by request