1140-0082 Screening compound: 2-ethoxy-6-[(E)-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

1140-0082 Screening compound: 2-ethoxy-6-[(E)-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol
1140-0082 Screening compound: 2-ethoxy-6-[(E)-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1140-0082
2-ethoxy-6-[(E)-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

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

1140-0082

Molecular Formula

C24H21N3O5 (C24 H21 N3 O5)

Compound Name

2-ethoxy-6-[(E)-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

IUPAC name

2-ethoxy-6-[(E)-{[2-methyl-5-(6-methyl-13-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

SMILES

CCOc(cc(cc1/C=N/c2c(C)ccc(-c3nc(ccc(C)c4)c4o3)c2)[N+]([O-])=O)c1O

InChI

InChI=1S/C24H21N3O5/c1-4-31-22-12-18(27(29)30)10-17(23(22)28)13-25-20-11-16(7-6-15(20)3)24-26-19-8-5-14(2)9-21(19)32-24/h5-13,28H,4H2,1-3H3

InChI Key

VZFWZIXJVCJTOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.932

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-5.33

Polar Surface Area

80.549

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1140-0082 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1140-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1140-0082?
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What is the minimum amount of 1140-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1140-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1140-0082
  • 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 1140-0082 available by request