8018-3403 Screening compound: (2E)-3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]prop-2-enoic acid

8018-3403 Screening compound: (2E)-3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]prop-2-enoic acid
8018-3403 Screening compound: (2E)-3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3403
(2E)-3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]prop-2-enoic 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

8018-3403

Molecular Formula

C13H13NO7 (C13 H13 NO7)

Compound Name

(2E)-3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]prop-2-enoic acid

IUPAC name

(2E)-3-[4-(2-ethoxy-2-oxoethoxy)-3-nitrophenyl]prop-2-enoic acid

SMILES

CCOC(COc(ccc(/C=C/C(O)=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C13H13NO7/c1-2-20-13(17)8-21-11-5-3-9(4-6-12(15)16)7-10(11)14(18)19/h3-7H,2,8H2,1H3,(H,15,16)

InChI Key

BHXLLSVOHJUCBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.25

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.830

Distribution Coefficient, logD

-1.360

Water Solubility, LogSw

-2.05

Polar Surface Area

89.447

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8018-3403 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-3403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3403?
Check Price and Availability of 8018-3403, 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 8018-3403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3403
  • 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 8018-3403 available by request