1550-0582 Screening compound: N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide

1550-0582 Screening compound: N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
1550-0582 Screening compound: N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1550-0582
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide

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

1550-0582

Molecular Formula

C21H14Cl2N2O2 (C21 H14 Cl2 N2 O2)

Compound Name

N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide

IUPAC name

N-[2-(34-dichlorophenyl)-13-benzoxazol-5-yl]-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(cc2)cc3c2oc(-c(cc2)cc(Cl)c2Cl)n3)=O)c1

InChI

InChI=1S/C21H14Cl2N2O2/c1-12-3-2-4-13(9-12)20(26)24-15-6-8-19-18(11-15)25-21(27-19)14-5-7-16(22)17(23)10-14/h2-11H,1H3,(H,24,26)

InChI Key

GQRXKRZINAYXOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00354106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.121

Distribution Coefficient, logD

6.117

Water Solubility, LogSw

-6.33

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1550-0582 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 1550-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1550-0582?
Check Price and Availability of 1550-0582, 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 1550-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1550-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1550-0582
  • 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 1550-0582 available by request