2081-1267 Screening compound: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,4,5-trimethoxybenzamide

2081-1267 Screening compound: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,4,5-trimethoxybenzamide
2081-1267 Screening compound: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1267
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-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

2081-1267

Molecular Formula

C25H24N2O6 (C25 H24 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H24N2O6/c1-5-14-6-9-20-18(10-14)27-25(33-20)17-13-16(7-8-19(17)28)26-24(29)15-11-21(30-2)23(32-4)22(12-15)31-3/h6-13,28H,5H2,1-4H3,(H,26,29)

InChI Key

CORAMDDJSVJNBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.48

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

5.400

Distribution Coefficient, logD

5.399

Water Solubility, LogSw

-5.13

Polar Surface Area

79.666

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2081-1267 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 2081-1267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1267?
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What is the minimum amount of 2081-1267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1267
  • 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 2081-1267 available by request