8006-4606 Screening compound: methyl 2-[2-(1H-imidazol-1-yl)acetamido]benzoate

8006-4606 Screening compound: methyl 2-[2-(1H-imidazol-1-yl)acetamido]benzoate
8006-4606 Screening compound: methyl 2-[2-(1H-imidazol-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4606
methyl 2-[2-(1H-imidazol-1-yl)acetamido]benzoate

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

8006-4606

Molecular Formula

C13H13N3O3 (C13 H13 N3 O3)

Compound Name

methyl 2-[2-(1H-imidazol-1-yl)acetamido]benzoate

IUPAC name

methyl 2-[2-(1H-imidazol-1-yl)acetamido]benzoate

SMILES

COC(c(cccc1)c1NC(Cn1cncc1)=O)=O

InChI

InChI=1S/C13H13N3O3/c1-19-13(18)10-4-2-3-5-11(10)15-12(17)8-16-7-6-14-9-16/h2-7,9H,8H2,1H3,(H,15,17)

InChI Key

UJVHCIXNLMVXFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.984

Distribution Coefficient, logD

0.954

Water Solubility, LogSw

-2.12

Polar Surface Area

56.414

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8006-4606 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-4606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4606?
Check Price and Availability of 8006-4606, 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 8006-4606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4606
  • 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 8006-4606 available by request