3888-1206 Screening compound: ethyl 5-ethyl-2-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]thiophene-3-carboxylate

3888-1206 Screening compound: ethyl 5-ethyl-2-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]thiophene-3-carboxylate
3888-1206 Screening compound: ethyl 5-ethyl-2-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3888-1206
ethyl 5-ethyl-2-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]thiophene-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

3888-1206

Molecular Formula

C19H21N3O4S (C19 H21 N3 O4 S)

Compound Name

ethyl 5-ethyl-2-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]thiophene-3-carboxylate

IUPAC name

ethyl 5-ethyl-2-[2-(3-oxo-1234-tetrahydroquinoxalin-2-yl)acetamido]thiophene-3-carboxylate

SMILES

CCc1cc(C(OCC)=O)c(NC(CC2Nc(cccc3)c3NC2=O)=O)s1

InChI

InChI=1S/C19H21N3O4S/c1-3-11-9-12(19(25)26-4-2)18(27-11)22-16(23)10-15-17(24)21-14-8-6-5-7-13(14)20-15/h5-9,15,20H,3-4,10H2,1-2H3,(H,21,24)(H,22,23)/t15-/m0/s1

InChI Key

FJUICELQKQIYIR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02342260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

1.358

Water Solubility, LogSw

-3.46

Polar Surface Area

80.795

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

3888-1206 in Drug Discovery

Included in Screening Libraries

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 3888-1206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3888-1206?
Check Price and Availability of 3888-1206, 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 3888-1206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3888-1206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3888-1206
  • 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 3888-1206 available by request