5508-0095 Screening compound: ethyl 2-{[3-(4-bromophenyl)-3-oxopropyl]amino}acetate

5508-0095 Screening compound: ethyl 2-{[3-(4-bromophenyl)-3-oxopropyl]amino}acetate
5508-0095 Screening compound: ethyl 2-{[3-(4-bromophenyl)-3-oxopropyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5508-0095
ethyl 2-{[3-(4-bromophenyl)-3-oxopropyl]amino}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

5508-0095

Molecular Formula

C13H16BrNO3 (C13 H16 BrNO3)

Compound Name

ethyl 2-{[3-(4-bromophenyl)-3-oxopropyl]amino}acetate

IUPAC name

ethyl 2-{[3-(4-bromophenyl)-3-oxopropyl]amino}acetate

SMILES

CCOC(CNCCC(c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C13H16BrNO3/c1-2-18-13(17)9-15-8-7-12(16)10-3-5-11(14)6-4-10/h3-6,15H,2,7-9H2,1H3

InChI Key

BMHLIIXMKCQOCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00699260

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

314.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.908

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-2.36

Polar Surface Area

45.523

Acid Dissociation Constant (pKa)

20.48

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

5508-0095 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5508-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5508-0095?
Check Price and Availability of 5508-0095, 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 5508-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5508-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5508-0095
  • 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 5508-0095 available by request