3763-1245 Screening compound: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

3763-1245 Screening compound: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
3763-1245 Screening compound: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3763-1245
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

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

3763-1245

Molecular Formula

C22H15BrN2O4 (C22 H15 BrN2 O4)

Compound Name

N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-[2-(3-bromophenyl)-13-benzoxazol-5-yl]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

O=C(c(cc1)cc2c1OCCO2)Nc(cc1)cc2c1oc(-c1cccc(Br)c1)n2

InChI

InChI=1S/C22H15BrN2O4/c23-15-3-1-2-14(10-15)22-25-17-12-16(5-7-18(17)29-22)24-21(26)13-4-6-19-20(11-13)28-9-8-27-19/h1-7,10-12H,8-9H2,(H,24,26)

InChI Key

VJUNKYBQJBUIEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01783913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.58

Polar Surface Area

55.963

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3763-1245 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3763-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3763-1245?
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What is the minimum amount of 3763-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3763-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3763-1245
  • 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 3763-1245 available by request