8010-5970 Screening compound: diethyl 2-bromo-3-(4-methylphenyl)succinate

8010-5970 Screening compound: diethyl 2-bromo-3-(4-methylphenyl)succinate
8010-5970 Screening compound: diethyl 2-bromo-3-(4-methylphenyl)succinate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5970
diethyl 2-bromo-3-(4-methylphenyl)succinate

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

8010-5970

Molecular Formula

C15H19BrO4 (C15 H19 BrO4)

Compound Name

diethyl 2-bromo-3-(4-methylphenyl)succinate

IUPAC name

14-diethyl 2-bromo-3-(4-methylphenyl)butanedioate

SMILES

CCOC(C(C(C(OCC)=O)Br)c1ccc(C)cc1)=O

InChI

InChI=1S/C15H19BrO4/c1-4-19-14(17)12(13(16)15(18)20-5-2)11-8-6-10(3)7-9-11/h6-9,12-13H,4-5H2,1-3H3

InChI Key

MNVZOGWIMOUWDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01910167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.839

Distribution Coefficient, logD

3.839

Water Solubility, LogSw

-3.84

Polar Surface Area

41.746

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.67

8010-5970 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-5970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5970?
Check Price and Availability of 8010-5970, 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 8010-5970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5970
  • 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 8010-5970 available by request