1550-0870 Screening compound: 3,4-dichloro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]benzamide

1550-0870 Screening compound: 3,4-dichloro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
1550-0870 Screening compound: 3,4-dichloro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1550-0870
3,4-dichloro-N-[2-(2-methylphenyl)-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

1550-0870

Molecular Formula

C21H14Cl2N2O2 (C21 H14 Cl2 N2 O2)

Compound Name

3,4-dichloro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]benzamide

IUPAC name

34-dichloro-N-[2-(2-methylphenyl)-13-benzoxazol-5-yl]benzamide

SMILES

Cc(cccc1)c1-c1nc(cc(cc2)NC(c(cc3)cc(Cl)c3Cl)=O)c2o1

InChI

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

InChI Key

RFLRJXOSZBYFCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246186

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

6.057

Distribution Coefficient, logD

5.981

Water Solubility, LogSw

-6.05

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1550-0870 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1550-0870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1550-0870?
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What is the minimum amount of 1550-0870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1550-0870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1550-0870
  • 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 1550-0870 available by request