1287-0144 Screening compound: 3-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}benzamide

1287-0144 Screening compound: 3-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}benzamide
1287-0144 Screening compound: 3-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1287-0144
3-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}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

1287-0144

Molecular Formula

C22H18BrN3O2 (C22 H18 BrN3 O2)

Compound Name

3-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}benzamide

IUPAC name

3-bromo-N-{2-[4-(dimethylamino)phenyl]-13-benzoxazol-5-yl}benzamide

SMILES

CN(C)c(cc1)ccc1-c1nc(cc(cc2)NC(c3cccc(Br)c3)=O)c2o1

InChI

InChI=1S/C22H18BrN3O2/c1-26(2)18-9-6-14(7-10-18)22-25-19-13-17(8-11-20(19)28-22)24-21(27)15-4-3-5-16(23)12-15/h3-13H,1-2H3,(H,24,27)

InChI Key

VOKCXPZLBIDMRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.485

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.52

Polar Surface Area

42.945

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1287-0144 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 1287-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1287-0144?
Check Price and Availability of 1287-0144, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1287-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1287-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1287-0144
  • 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 1287-0144 available by request