1682-0444 Screening compound: (2E)-4-oxo-4-[(pyridin-3-yl)formohydrazido]but-2-enoic acid

1682-0444 Screening compound: (2E)-4-oxo-4-[(pyridin-3-yl)formohydrazido]but-2-enoic acid
1682-0444 Screening compound: (2E)-4-oxo-4-[(pyridin-3-yl)formohydrazido]but-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-0444
(2E)-4-oxo-4-[(pyridin-3-yl)formohydrazido]but-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

1682-0444

Molecular Formula

C10H9N3O4 (C10 H9 N3 O4)

Compound Name

(2E)-4-oxo-4-[(pyridin-3-yl)formohydrazido]but-2-enoic acid

IUPAC name

(2E)-4-oxo-4-[(pyridin-3-yl)formohydrazido]but-2-enoic acid

SMILES

OC(/C=C/C(NNC(c1cnccc1)=O)=O)=O

InChI

InChI=1S/C10H9N3O4/c14-8(3-4-9(15)16)12-13-10(17)7-2-1-5-11-6-7/h1-6H,(H,12,14)(H,13,17)(H,15,16)

InChI Key

PMTJSWVYLYQGEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00563358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.466

Distribution Coefficient, logD

-4.208

Water Solubility, LogSw

-0.80

Polar Surface Area

89.395

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1682-0444 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1682-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-0444?
Check Price and Availability of 1682-0444, 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 1682-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-0444
  • 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 1682-0444 available by request