000L-2733 Screening compound: 1-bromonaphthalen-2-yl (2E)-3-(4-ethoxyphenyl)prop-2-enoate

000L-2733 Screening compound: 1-bromonaphthalen-2-yl (2E)-3-(4-ethoxyphenyl)prop-2-enoate
000L-2733 Screening compound: 1-bromonaphthalen-2-yl (2E)-3-(4-ethoxyphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 000L-2733
1-bromonaphthalen-2-yl (2E)-3-(4-ethoxyphenyl)prop-2-enoate

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

000L-2733

Molecular Formula

C21H17BrO3 (C21 H17 BrO3)

Compound Name

1-bromonaphthalen-2-yl (2E)-3-(4-ethoxyphenyl)prop-2-enoate

IUPAC name

1-bromonaphthalen-2-yl (2E)-3-(4-ethoxyphenyl)prop-2-enoate

SMILES

CCOc1ccc(/C=C/C(Oc(ccc2ccccc22)c2Br)=O)cc1

InChI

InChI=1S/C21H17BrO3/c1-2-24-17-11-7-15(8-12-17)9-14-20(23)25-19-13-10-16-5-3-4-6-18(16)21(19)22/h3-14H,2H2,1H3

InChI Key

NIHSLPPZDWAXOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00981837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.779

Distribution Coefficient, logD

5.779

Water Solubility, LogSw

-6.75

Polar Surface Area

26.960

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

000L-2733 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 000L-2733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000L-2733?
Check Price and Availability of 000L-2733, 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 000L-2733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000L-2733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000L-2733
  • 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 000L-2733 available by request