8512-0107 Screening compound: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-3,4,5-trimethoxybenzamide

8512-0107 Screening compound: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-3,4,5-trimethoxybenzamide
8512-0107 Screening compound: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8512-0107
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-3,4,5-trimethoxybenzamide

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

8512-0107

Molecular Formula

C26H26N2O6 (C26 H26 N2 O6)

Compound Name

N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[3-(5-ethyl-13-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-345-trimethoxybenzamide

SMILES

CCc(cc1)cc2c1oc(-c(cc(cc1C)NC(c(cc3OC)cc(OC)c3OC)=O)c1O)n2

InChI

InChI=1S/C26H26N2O6/c1-6-15-7-8-20-19(10-15)28-26(34-20)18-13-17(9-14(2)23(18)29)27-25(30)16-11-21(31-3)24(33-5)22(12-16)32-4/h7-13,29H,6H2,1-5H3,(H,27,30)

InChI Key

VYYZHJFPUXOHDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07403112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.407

Distribution Coefficient, logD

5.407

Water Solubility, LogSw

-5.22

Polar Surface Area

78.597

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 8512-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8512-0107?
Check Price and Availability of 8512-0107, 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 8512-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8512-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8512-0107
  • 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 8512-0107 available by request