8019-8828 Screening compound: 2-chloro-N-[(3-hydroxy-2,4-dimethyl-6-nitrophenyl)methyl]acetamide

8019-8828 Screening compound: 2-chloro-N-[(3-hydroxy-2,4-dimethyl-6-nitrophenyl)methyl]acetamide
8019-8828 Screening compound: 2-chloro-N-[(3-hydroxy-2,4-dimethyl-6-nitrophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8828
2-chloro-N-[(3-hydroxy-2,4-dimethyl-6-nitrophenyl)methyl]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

8019-8828

Molecular Formula

C11H13ClN2O4 (C11 H13 ClN2 O4)

Compound Name

2-chloro-N-[(3-hydroxy-2,4-dimethyl-6-nitrophenyl)methyl]acetamide

IUPAC name

2-chloro-N-[(3-hydroxy-24-dimethyl-6-nitrophenyl)methyl]acetamide

SMILES

Cc1cc([N+]([O-])=O)c(CNC(CCl)=O)c(C)c1O

InChI

InChI=1S/C11H13ClN2O4/c1-6-3-9(14(17)18)8(7(2)11(6)16)5-13-10(15)4-12/h3,16H,4-5H2,1-2H3,(H,13,15)

InChI Key

ULNFXCDDIHUFQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.989

Distribution Coefficient, logD

1.933

Water Solubility, LogSw

-2.12

Polar Surface Area

73.270

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8019-8828 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8019-8828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8828?
Check Price and Availability of 8019-8828, 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 8019-8828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8828
  • 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 8019-8828 available by request