2081-1377 Screening compound: N-[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]-3,4,5-trimethoxybenzamide

2081-1377 Screening compound: N-[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]-3,4,5-trimethoxybenzamide
2081-1377 Screening compound: N-[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1377
N-[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]-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

2081-1377

Molecular Formula

C24H21BrN2O5 (C24 H21 BrN2 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c1nc(cc(cc2)NC(c(cc3OC)cc(OC)c3OC)=O)c2o1)c1)c1Br

InChI

InChI=1S/C24H21BrN2O5/c1-13-5-6-14(9-17(13)25)24-27-18-12-16(7-8-19(18)32-24)26-23(28)15-10-20(29-2)22(31-4)21(11-15)30-3/h5-12H,1-4H3,(H,26,28)

InChI Key

VTXNKTODBUZIIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.35

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

5.460

Distribution Coefficient, logD

5.460

Water Solubility, LogSw

-5.43

Polar Surface Area

63.118

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2081-1377 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 2081-1377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1377?
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What is the minimum amount of 2081-1377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1377
  • 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 2081-1377 available by request