8004-1517 Screening compound: 2-[(E)-({2-[2-methyl-4-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 4-nitrobenzoate

8004-1517 Screening compound: 2-[(E)-({2-[2-methyl-4-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 4-nitrobenzoate
8004-1517 Screening compound: 2-[(E)-({2-[2-methyl-4-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1517
2-[(E)-({2-[2-methyl-4-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 4-nitrobenzoate

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

8004-1517

Molecular Formula

C26H25N3O6 (C26 H25 N3 O6)

Compound Name

2-[(E)-({2-[2-methyl-4-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 4-nitrobenzoate

IUPAC name

2-[(E)-({2-[2-methyl-4-(propan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 4-nitrobenzoate

SMILES

CC(C)c(cc1)cc(C)c1OCC(N/N=C/c(cccc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C26H25N3O6/c1-17(2)20-10-13-23(18(3)14-20)34-16-25(30)28-27-15-21-6-4-5-7-24(21)35-26(31)19-8-11-22(12-9-19)29(32)33/h4-15,17H,16H2,1-3H3,(H,28,30)

InChI Key

NLAJENCZMHOXAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00323232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.034

Distribution Coefficient, logD

6.033

Water Solubility, LogSw

-5.61

Polar Surface Area

96.773

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 8004-1517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1517?
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What is the minimum amount of 8004-1517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1517
  • 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 8004-1517 available by request