8010-1561 Screening compound: 3,4,5-triethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

8010-1561 Screening compound: 3,4,5-triethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
8010-1561 Screening compound: 3,4,5-triethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1561
3,4,5-triethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

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

8010-1561

Molecular Formula

C27H28N2O5 (C27 H28 N2 O5)

Compound Name

3,4,5-triethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

IUPAC name

345-triethoxy-N-[4-(5-methyl-13-benzoxazol-2-yl)phenyl]benzamide

SMILES

CCOc1cc(C(Nc(cc2)ccc2-c2nc(cc(C)cc3)c3o2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C27H28N2O5/c1-5-31-23-15-19(16-24(32-6-2)25(23)33-7-3)26(30)28-20-11-9-18(10-12-20)27-29-21-14-17(4)8-13-22(21)34-27/h8-16H,5-7H2,1-4H3,(H,28,30)

InChI Key

JETGVWKHGCHHEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.516

Distribution Coefficient, logD

5.516

Water Solubility, LogSw

-5.31

Polar Surface Area

61.857

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

8010-1561 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8010-1561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1561?
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What is the minimum amount of 8010-1561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1561
  • 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 8010-1561 available by request