8002-9045 Screening compound: 2-(benzoyloxy)-4-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl benzoate

8002-9045 Screening compound: 2-(benzoyloxy)-4-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl benzoate
8002-9045 Screening compound: 2-(benzoyloxy)-4-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9045
2-(benzoyloxy)-4-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl benzoate

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

8002-9045

Molecular Formula

C32H27N3O8 (C32 H27 N3 O8)

Compound Name

2-(benzoyloxy)-4-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl benzoate

IUPAC name

2-(benzoyloxy)-4-[(E)-({2-[(34-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl benzoate

SMILES

COc(ccc(C(NCC(N/N=C/c(cc1)cc(OC(c2ccccc2)=O)c1OC(c1ccccc1)=O)=O)=O)c1)c1OC

InChI

InChI=1S/C32H27N3O8/c1-40-25-16-14-24(18-27(25)41-2)30(37)33-20-29(36)35-34-19-21-13-15-26(42-31(38)22-9-5-3-6-10-22)28(17-21)43-32(39)23-11-7-4-8-12-23/h3-19H,20H2,1-2H3,(H,33,37)(H,35,36)

InChI Key

XNACZLQECJCFIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.680

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.55

Polar Surface Area

116.215

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

References: we are preparing a list of scientific research reports with 8002-9045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9045?
Check Price and Availability of 8002-9045, 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 8002-9045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9045
  • 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 8002-9045 available by request