8019-3646 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1H-imidazol-1-yl)acetamide

8019-3646 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1H-imidazol-1-yl)acetamide
8019-3646 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1H-imidazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3646
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1H-imidazol-1-yl)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

8019-3646

Molecular Formula

C13H13N3O3 (C13 H13 N3 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1H-imidazol-1-yl)acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(1H-imidazol-1-yl)acetamide

SMILES

O=C(Cn1cncc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C13H13N3O3/c17-13(7-16-4-3-14-8-16)15-6-10-1-2-11-12(5-10)19-9-18-11/h1-5,8H,6-7,9H2,(H,15,17)

InChI Key

SEEAMWSXZDDNLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.751

Distribution Coefficient, logD

0.716

Water Solubility, LogSw

-1.76

Polar Surface Area

54.376

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8019-3646 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-3646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3646?
Check Price and Availability of 8019-3646, 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 8019-3646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3646
  • 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 8019-3646 available by request