5524-0030 Screening compound: 5-bromo-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}pyridine-3-carboxamide

5524-0030 Screening compound: 5-bromo-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}pyridine-3-carboxamide
5524-0030 Screening compound: 5-bromo-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5524-0030
5-bromo-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}pyridine-3-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

5524-0030

Molecular Formula

C22H18BrN3O2 (C22 H18 BrN3 O2)

Compound Name

5-bromo-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}pyridine-3-carboxamide

IUPAC name

5-bromo-N-{4-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}pyridine-3-carboxamide

SMILES

CC(C)c(cc1)cc2c1oc(-c(cc1)ccc1NC(c1cc(Br)cnc1)=O)n2

InChI

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

InChI Key

WNUTYTYYKGVWJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.535

Distribution Coefficient, logD

5.534

Water Solubility, LogSw

-5.31

Polar Surface Area

49.747

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5524-0030 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5524-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5524-0030?
Check Price and Availability of 5524-0030, 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 5524-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5524-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5524-0030
  • 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 5524-0030 available by request