7828-0166 Screening compound: N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-methyl-3-nitrobenzamide

7828-0166 Screening compound: N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-methyl-3-nitrobenzamide
7828-0166 Screening compound: N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7828-0166
N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-methyl-3-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

7828-0166

Molecular Formula

C25H23N3O5 (C25 H23 N3 O5)

Compound Name

N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-methyl-3-nitrobenzamide

IUPAC name

N-{2-methoxy-5-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}-2-methyl-3-nitrobenzamide

SMILES

CC(C)c(cc1)cc2c1oc(-c(cc1)cc(NC(c3cccc([N+]([O-])=O)c3C)=O)c1OC)n2

InChI

InChI=1S/C25H23N3O5/c1-14(2)16-8-11-23-20(12-16)27-25(33-23)17-9-10-22(32-4)19(13-17)26-24(29)18-6-5-7-21(15(18)3)28(30)31/h5-14H,1-4H3,(H,26,29)

InChI Key

LCWNJNYVVYBZAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04215831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.856

Distribution Coefficient, logD

5.837

Water Solubility, LogSw

-5.55

Polar Surface Area

80.153

Acid Dissociation Constant (pKa)

8.75

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 7828-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7828-0166?
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What is the minimum amount of 7828-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7828-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7828-0166
  • 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 7828-0166 available by request