0620-0004 Screening compound: 3,5-dibromo-2-(3-ethoxy-3-oxopropanamido)benzoic acid

0620-0004 Screening compound: 3,5-dibromo-2-(3-ethoxy-3-oxopropanamido)benzoic acid
0620-0004 Screening compound: 3,5-dibromo-2-(3-ethoxy-3-oxopropanamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0620-0004
3,5-dibromo-2-(3-ethoxy-3-oxopropanamido)benzoic acid

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

0620-0004

Molecular Formula

C12H11Br2NO5 (C12 H11 Br2 NO5)

Compound Name

3,5-dibromo-2-(3-ethoxy-3-oxopropanamido)benzoic acid

IUPAC name

35-dibromo-2-(3-ethoxy-3-oxopropanamido)benzoic acid

SMILES

CCOC(CC(Nc(c(C(O)=O)cc(Br)c1)c1Br)=O)=O

InChI

InChI=1S/C12H11Br2NO5/c1-2-20-10(17)5-9(16)15-11-7(12(18)19)3-6(13)4-8(11)14/h3-4H,2,5H2,1H3,(H,15,16)(H,18,19)

InChI Key

LGESPLVFGQXPFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00572625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.414

Distribution Coefficient, logD

-2.252

Water Solubility, LogSw

-2.67

Polar Surface Area

70.559

Acid Dissociation Constant (pKa)

2.73

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0620-0004 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0620-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0620-0004?
Check Price and Availability of 0620-0004, 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 0620-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0620-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0620-0004
  • 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 0620-0004 available by request