1550-0862 Screening compound: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide

1550-0862 Screening compound: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
1550-0862 Screening compound: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1550-0862
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide

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

1550-0862

Molecular Formula

C24H20Cl2N2O2 (C24 H20 Cl2 N2 O2)

Compound Name

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide

IUPAC name

N-[2-(4-tert-butylphenyl)-13-benzoxazol-5-yl]-34-dichlorobenzamide

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(cc(cc2)NC(c(cc3)cc(Cl)c3Cl)=O)c2o1

InChI

InChI=1S/C24H20Cl2N2O2/c1-24(2,3)16-7-4-14(5-8-16)23-28-20-13-17(9-11-21(20)30-23)27-22(29)15-6-10-18(25)19(26)12-15/h4-13H,1-3H3,(H,27,29)

InChI Key

DGWYCVADRUEHHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01243157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.625

Distribution Coefficient, logD

7.549

Water Solubility, LogSw

-6.65

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1550-0862 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1550-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1550-0862?
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What is the minimum amount of 1550-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1550-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1550-0862
  • 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 1550-0862 available by request