2043-4175 Screening compound: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate

2043-4175 Screening compound: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
2043-4175 Screening compound: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2043-4175
ethyl 2-[(4-chloro-3-nitrobenzoyl)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

2043-4175

Molecular Formula

C16H15ClN2O5S (C16 H15 ClN2 O5 S)

Compound Name

ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate

IUPAC name

ethyl 2-(4-chloro-3-nitrobenzamido)-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)cc([N+]([O-])=O)c2Cl)=O)sc(C)c1C)=O

InChI

InChI=1S/C16H15ClN2O5S/c1-4-24-16(21)13-8(2)9(3)25-15(13)18-14(20)10-5-6-11(17)12(7-10)19(22)23/h5-7H,4H2,1-3H3,(H,18,20)

InChI Key

GKAJWFUBAWAUKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01014579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.82

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

-1.857

Water Solubility, LogSw

-4.70

Polar Surface Area

76.958

Acid Dissociation Constant (pKa)

1.65

Base Dissociation Constant (pKb)

-8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2043-4175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2043-4175?
Check Price and Availability of 2043-4175, 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 2043-4175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2043-4175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2043-4175
  • 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 2043-4175 available by request