8003-4831 Screening compound: 4-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]-2-nitrophenyl 4-methoxybenzoate

8003-4831 Screening compound: 4-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]-2-nitrophenyl 4-methoxybenzoate
8003-4831 Screening compound: 4-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]-2-nitrophenyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4831
4-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]-2-nitrophenyl 4-methoxybenzoate

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

8003-4831

Molecular Formula

C22H17N3O7 (C22 H17 N3 O7)

Compound Name

4-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]-2-nitrophenyl 4-methoxybenzoate

IUPAC name

4-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]-2-nitrophenyl 4-methoxybenzoate

SMILES

COc(cc1)ccc1C(Oc(ccc(/C=N/NC(c(cc1)ccc1O)=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C22H17N3O7/c1-31-18-9-5-16(6-10-18)22(28)32-20-11-2-14(12-19(20)25(29)30)13-23-24-21(27)15-3-7-17(26)8-4-15/h2-13,26H,1H3,(H,24,27)

InChI Key

NVHSARVNHVNLBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-3.63

Polar Surface Area

114.260

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 8003-4831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4831?
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What is the minimum amount of 8003-4831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4831
  • 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 8003-4831 available by request