8015-0196 Screening compound: ethyl 3-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-ethoxyphenyl)propanoate

8015-0196 Screening compound: ethyl 3-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-ethoxyphenyl)propanoate
8015-0196 Screening compound: ethyl 3-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-ethoxyphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0196
ethyl 3-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-ethoxyphenyl)propanoate

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

8015-0196

Molecular Formula

C20H21ClN2O6 (C20 H21 ClN2 O6)

Compound Name

ethyl 3-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-ethoxyphenyl)propanoate

IUPAC name

ethyl 3-[(2-chloro-5-nitrophenyl)formamido]-3-(4-ethoxyphenyl)propanoate

SMILES

CCOC(CC(c(cc1)ccc1OCC)NC(c(cc(cc1)[N+]([O-])=O)c1Cl)=O)=O

InChI

InChI=1S/C20H21ClN2O6/c1-3-28-15-8-5-13(6-9-15)18(12-19(24)29-4-2)22-20(25)16-11-14(23(26)27)7-10-17(16)21/h5-11,18H,3-4,12H2,1-2H3,(H,22,25)/t18-/m0/s1

InChI Key

GKZJJVYCKCEDCT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03821734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.416

Distribution Coefficient, logD

4.416

Water Solubility, LogSw

-4.73

Polar Surface Area

84.946

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8015-0196 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0196?
Check Price and Availability of 8015-0196, 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 8015-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0196
  • 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 8015-0196 available by request