8002-1054 Screening compound: 2-({[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-methyl-6-nitrophenol

8002-1054 Screening compound: 2-({[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-methyl-6-nitrophenol
8002-1054 Screening compound: 2-({[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-methyl-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-1054
2-({[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-methyl-6-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

8002-1054

Molecular Formula

C22H17N3O5 (C22 H17 N3 O5)

Compound Name

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

IUPAC name

n/a

SMILES

Cc(cc1/C=N/c(cc2)cc3c2oc(-c(cc2)ccc2OC)n3)cc([N+]([O-])=O)c1O

InChI

InChI=1S/C22H17N3O5/c1-13-9-15(21(26)19(10-13)25(27)28)12-23-16-5-8-20-18(11-16)24-22(30-20)14-3-6-17(29-2)7-4-14/h3-12,26H,1-2H3

InChI Key

YCKUZSPYIRSSNU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.238

Distribution Coefficient, logD

3.776

Water Solubility, LogSw

-5.06

Polar Surface Area

81.280

Acid Dissociation Constant (pKa)

5.95

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8002-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-1054?
Check Price and Availability of 8002-1054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8002-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-1054
  • 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 8002-1054 available by request