4483-3316 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-[(4-bromophenyl)carbamoyl]butanoate

4483-3316 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-[(4-bromophenyl)carbamoyl]butanoate
4483-3316 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-[(4-bromophenyl)carbamoyl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3316
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-[(4-bromophenyl)carbamoyl]butanoate

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

4483-3316

Molecular Formula

C20H19BrN2O6 (C20 H19 BrN2 O6)

Compound Name

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-[(4-bromophenyl)carbamoyl]butanoate

IUPAC name

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-[(4-bromophenyl)carbamoyl]butanoate

SMILES

Cc(ccc(C(COC(CCCC(Nc(cc1)ccc1Br)=O)=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C20H19BrN2O6/c1-13-5-6-14(11-17(13)23(27)28)18(24)12-29-20(26)4-2-3-19(25)22-16-9-7-15(21)8-10-16/h5-11H,2-4,12H2,1H3,(H,22,25)

InChI Key

FBUCKSIOZCILRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02318511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.28

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.36

Polar Surface Area

89.978

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4483-3316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3316?
Check Price and Availability of 4483-3316, 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 4483-3316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3316
  • 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 4483-3316 available by request