8006-4852 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-[(4-methylphenyl)formamido]acetate

8006-4852 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-[(4-methylphenyl)formamido]acetate
8006-4852 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-[(4-methylphenyl)formamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4852
2-(4-bromophenyl)-2-oxoethyl 2-[(4-methylphenyl)formamido]acetate

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

8006-4852

Molecular Formula

C18H16BrNO4 (C18 H16 BrNO4)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 2-[(4-methylphenyl)formamido]acetate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 2-[(4-methylphenyl)formamido]acetate

SMILES

Cc(cc1)ccc1C(NCC(OCC(c(cc1)ccc1Br)=O)=O)=O

InChI

InChI=1S/C18H16BrNO4/c1-12-2-4-14(5-3-12)18(23)20-10-17(22)24-11-16(21)13-6-8-15(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,23)

InChI Key

OABGDCHNIYHWPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.52

Polar Surface Area

58.433

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8006-4852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4852?
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What is the minimum amount of 8006-4852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4852
  • 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 8006-4852 available by request