0958-0348 Screening compound: 1-[(E)-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]-6-nitronaphthalen-2-ol

0958-0348 Screening compound: 1-[(E)-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]-6-nitronaphthalen-2-ol
0958-0348 Screening compound: 1-[(E)-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]-6-nitronaphthalen-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0958-0348
1-[(E)-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]-6-nitronaphthalen-2-ol

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

0958-0348

Molecular Formula

C27H21N3O4 (C27 H21 N3 O4)

Compound Name

1-[(E)-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]-6-nitronaphthalen-2-ol

IUPAC name

1-[(E)-{[5-(57-dimethyl-13-benzoxazol-2-yl)-2-methylphenyl]imino}methyl]-6-nitronaphthalen-2-ol

SMILES

Cc(cc1C)cc2c1oc(-c1cc(/N=C/c3c(ccc([N+]([O-])=O)c4)c4ccc3O)c(C)cc1)n2

InChI

InChI=1S/C27H21N3O4/c1-15-10-17(3)26-24(11-15)29-27(34-26)19-5-4-16(2)23(13-19)28-14-22-21-8-7-20(30(32)33)12-18(21)6-9-25(22)31/h4-14,31H,1-3H3

InChI Key

KYJUFNAOEDBVRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00695169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.042

Distribution Coefficient, logD

6.997

Water Solubility, LogSw

-6.10

Polar Surface Area

74.369

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0958-0348 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0958-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0958-0348?
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What is the minimum amount of 0958-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0958-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0958-0348
  • 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 0958-0348 available by request