1315-0161 Screening compound: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide

1315-0161 Screening compound: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
1315-0161 Screening compound: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1315-0161
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide

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

1315-0161

Molecular Formula

C25H23N3O4 (C25 H23 N3 O4)

Compound Name

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

IUPAC name

N-[2-(4-tert-butylphenyl)-13-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(cc(cc2)NC(c(cc3)cc(C)c3[N+]([O-])=O)=O)c2o1

InChI

InChI=1S/C25H23N3O4/c1-15-13-17(7-11-21(15)28(30)31)23(29)26-19-10-12-22-20(14-19)27-24(32-22)16-5-8-18(9-6-16)25(2,3)4/h5-14H,1-4H3,(H,26,29)

InChI Key

UJLKRXKQQJNNNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00702394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.759

Distribution Coefficient, logD

6.753

Water Solubility, LogSw

-5.63

Polar Surface Area

73.220

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 1315-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1315-0161?
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What is the minimum amount of 1315-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1315-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1315-0161
  • 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 1315-0161 available by request