2568-1212 Screening compound: 2,4-diethyl 5-(5-chloro-2-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate

2568-1212 Screening compound: 2,4-diethyl 5-(5-chloro-2-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
2568-1212 Screening compound: 2,4-diethyl 5-(5-chloro-2-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2568-1212
2,4-diethyl 5-(5-chloro-2-nitrobenzamido)-3-methylthiophene-2,4-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

2568-1212

Molecular Formula

C18H17ClN2O7S (C18 H17 ClN2 O7 S)

Compound Name

2,4-diethyl 5-(5-chloro-2-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-(5-chloro-2-nitrobenzamido)-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c(cc(cc2)Cl)c2[N+]([O-])=O)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C18H17ClN2O7S/c1-4-27-17(23)13-9(3)14(18(24)28-5-2)29-16(13)20-15(22)11-8-10(19)6-7-12(11)21(25)26/h6-8H,4-5H2,1-3H3,(H,20,22)

InChI Key

GPHYMBDVSFTKTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01355002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.86

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

-2.907

Water Solubility, LogSw

-4.71

Polar Surface Area

97.712

Acid Dissociation Constant (pKa)

0.60

Base Dissociation Constant (pKb)

-11.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

2568-1212 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2568-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2568-1212?
Check Price and Availability of 2568-1212, 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 2568-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2568-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2568-1212
  • 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 2568-1212 available by request