0672-0476 Screening compound: 2-chloro-N-{6-[(4-hydroxy-2-oxo-2H-chromen-3-yl)formamido]hexyl}acetamide

0672-0476 Screening compound: 2-chloro-N-{6-[(4-hydroxy-2-oxo-2H-chromen-3-yl)formamido]hexyl}acetamide
0672-0476 Screening compound: 2-chloro-N-{6-[(4-hydroxy-2-oxo-2H-chromen-3-yl)formamido]hexyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0672-0476
2-chloro-N-{6-[(4-hydroxy-2-oxo-2H-chromen-3-yl)formamido]hexyl}acetamide

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

0672-0476

Molecular Formula

C18H21ClN2O5 (C18 H21 ClN2 O5)

Compound Name

2-chloro-N-{6-[(4-hydroxy-2-oxo-2H-chromen-3-yl)formamido]hexyl}acetamide

IUPAC name

2-chloro-N-{6-[(4-hydroxy-2-oxo-2H-chromen-3-yl)formamido]hexyl}acetamide

SMILES

OC(c(cccc1)c1O1)=C(C(NCCCCCCNC(CCl)=O)=O)C1=O

InChI

InChI=1S/C18H21ClN2O5/c19-11-14(22)20-9-5-1-2-6-10-21-17(24)15-16(23)12-7-3-4-8-13(12)26-18(15)25/h3-4,7-8,23H,1-2,5-6,9-11H2,(H,20,22)(H,21,24)

InChI Key

YUTYIHKTUKMBPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00367905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.786

Distribution Coefficient, logD

-3.222

Water Solubility, LogSw

-2.19

Polar Surface Area

85.071

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

0672-0476 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0672-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0672-0476?
Check Price and Availability of 0672-0476, 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 0672-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0672-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0672-0476
  • 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 0672-0476 available by request