Y041-3531 Screening compound: 3-[(3-methoxyphenoxy)methyl]-1,2-benzoxazol-6-yl N,N-dimethylcarbamate

Y041-3531 Screening compound: 3-[(3-methoxyphenoxy)methyl]-1,2-benzoxazol-6-yl N,N-dimethylcarbamate
Y041-3531 Screening compound: 3-[(3-methoxyphenoxy)methyl]-1,2-benzoxazol-6-yl N,N-dimethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3531
3-[(3-methoxyphenoxy)methyl]-1,2-benzoxazol-6-yl N,N-dimethylcarbamate

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

Y041-3531

Molecular Formula

C18H18N2O5 (C18 H18 N2 O5)

Compound Name

3-[(3-methoxyphenoxy)methyl]-1,2-benzoxazol-6-yl N,N-dimethylcarbamate

IUPAC name

3-[(3-methoxyphenoxy)methyl]-12-benzoxazol-6-yl NN-dimethylcarbamate

SMILES

CN(C)C(Oc(cc1)cc2c1c(COc1cc(OC)ccc1)no2)=O

InChI

InChI=1S/C18H18N2O5/c1-20(2)18(21)24-14-7-8-15-16(19-25-17(15)10-14)11-23-13-6-4-5-12(9-13)22-3/h4-10H,11H2,1-3H3

InChI Key

OKLIJOAJXXGZSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12206558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-3.41

Polar Surface Area

59.653

Acid Dissociation Constant (pKa)

31.89

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y041-3531 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y041-3531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3531?
Check Price and Availability of Y041-3531, 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 Y041-3531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3531
  • 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 Y041-3531 available by request