2081-1151 Screening compound: 3,4,5-trimethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

2081-1151 Screening compound: 3,4,5-trimethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
2081-1151 Screening compound: 3,4,5-trimethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1151
3,4,5-trimethoxy-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

2081-1151

Molecular Formula

C24H22N2O5 (C24 H22 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1oc(-c(cc1)ccc1NC(c(cc1OC)cc(OC)c1OC)=O)n2

InChI

InChI=1S/C24H22N2O5/c1-14-5-10-19-18(11-14)26-24(31-19)15-6-8-17(9-7-15)25-23(27)16-12-20(28-2)22(30-4)21(13-16)29-3/h5-13H,1-4H3,(H,25,27)

InChI Key

CAIGXWJTRAUCIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.558

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.37

Polar Surface Area

63.118

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2081-1151 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2081-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1151?
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What is the minimum amount of 2081-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1151
  • 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 2081-1151 available by request