4483-3341 Screening compound: 2-(4-chloro-3-nitrophenyl)-2-oxoethyl 3-[(3-acetylphenyl)carbamoyl]propanoate

4483-3341 Screening compound: 2-(4-chloro-3-nitrophenyl)-2-oxoethyl 3-[(3-acetylphenyl)carbamoyl]propanoate
4483-3341 Screening compound: 2-(4-chloro-3-nitrophenyl)-2-oxoethyl 3-[(3-acetylphenyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3341
2-(4-chloro-3-nitrophenyl)-2-oxoethyl 3-[(3-acetylphenyl)carbamoyl]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

4483-3341

Molecular Formula

C20H17ClN2O7 (C20 H17 ClN2 O7)

Compound Name

2-(4-chloro-3-nitrophenyl)-2-oxoethyl 3-[(3-acetylphenyl)carbamoyl]propanoate

IUPAC name

2-(4-chloro-3-nitrophenyl)-2-oxoethyl 3-[(3-acetylphenyl)carbamoyl]propanoate

SMILES

CC(c1cccc(NC(CCC(OCC(c(cc2)cc([N+]([O-])=O)c2Cl)=O)=O)=O)c1)=O

InChI

InChI=1S/C20H17ClN2O7/c1-12(24)13-3-2-4-15(9-13)22-19(26)7-8-20(27)30-11-18(25)14-5-6-16(21)17(10-14)23(28)29/h2-6,9-10H,7-8,11H2,1H3,(H,22,26)

InChI Key

MVJFAFAERSELIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02318657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.82

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.682

Distribution Coefficient, logD

2.682

Water Solubility, LogSw

-3.63

Polar Surface Area

103.805

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4483-3341 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4483-3341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3341?
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What is the minimum amount of 4483-3341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3341
  • 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 4483-3341 available by request