4491-1122 Screening compound: N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

4491-1122 Screening compound: N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
4491-1122 Screening compound: N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1122
N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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

4491-1122

Molecular Formula

C18H19NO3 (C18 H19 NO3)

Compound Name

N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

n/a

SMILES

Cc(cc1C)cc(C)c1NC(C1Oc(cccc2)c2OC1)=O

InChI

InChI=1S/C18H19NO3/c1-11-8-12(2)17(13(3)9-11)19-18(20)16-10-21-14-6-4-5-7-15(14)22-16/h4-9,16H,10H2,1-3H3,(H,19,20)/t16-/m0/s1

InChI Key

RBRWVDUSJVEWBD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02049976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.59

Polar Surface Area

37.371

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 4491-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1122?
Check Price and Availability of 4491-1122, 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 4491-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1122
  • 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 4491-1122 available by request