8010-3103 Screening compound: 2-[(2-chloroacetamido)methyl]-3,4,5-trimethoxybenzoic acid

8010-3103 Screening compound: 2-[(2-chloroacetamido)methyl]-3,4,5-trimethoxybenzoic acid
8010-3103 Screening compound: 2-[(2-chloroacetamido)methyl]-3,4,5-trimethoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3103
2-[(2-chloroacetamido)methyl]-3,4,5-trimethoxybenzoic 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

8010-3103

Molecular Formula

C13H16ClNO6 (C13 H16 ClNO6)

Compound Name

2-[(2-chloroacetamido)methyl]-3,4,5-trimethoxybenzoic acid

IUPAC name

2-[(2-chloroacetamido)methyl]-345-trimethoxybenzoic acid

SMILES

COc(cc(C(O)=O)c(CNC(CCl)=O)c1OC)c1OC

InChI

InChI=1S/C13H16ClNO6/c1-19-9-4-7(13(17)18)8(6-15-10(16)5-14)11(20-2)12(9)21-3/h4H,5-6H2,1-3H3,(H,15,16)(H,17,18)

InChI Key

BAPHPKUPVBZACQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.773

Distribution Coefficient, logD

-0.146

Water Solubility, LogSw

-2.22

Polar Surface Area

76.183

Acid Dissociation Constant (pKa)

5.49

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8010-3103 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-3103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3103?
Check Price and Availability of 8010-3103, 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 8010-3103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3103
  • 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 8010-3103 available by request