8004-4181 Screening compound: 2,4-dibromo-6-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl 2-iodobenzoate

8004-4181 Screening compound: 2,4-dibromo-6-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl 2-iodobenzoate
8004-4181 Screening compound: 2,4-dibromo-6-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4181
2,4-dibromo-6-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl 2-iodobenzoate

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

8004-4181

Molecular Formula

C26H18Br2IN3O3 (C26 H18 Br2 IN3 O3)

Compound Name

2,4-dibromo-6-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl 2-iodobenzoate

IUPAC name

24-dibromo-6-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl 2-iodobenzoate

SMILES

O=C(CNc1cc2ccccc2cc1)N/N=C/c1cc(Br)cc(Br)c1OC(c(cccc1)c1I)=O

InChI

InChI=1S/C26H18Br2IN3O3/c27-19-11-18(25(22(28)13-19)35-26(34)21-7-3-4-8-23(21)29)14-31-32-24(33)15-30-20-10-9-16-5-1-2-6-17(16)12-20/h1-14,30H,15H2,(H,32,33)

InChI Key

LWETXAXQSGFYDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

707.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.898

Distribution Coefficient, logD

7.865

Water Solubility, LogSw

-6.91

Polar Surface Area

66.126

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

References: we are preparing a list of scientific research reports with 8004-4181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4181?
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What is the minimum amount of 8004-4181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4181
  • 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 8004-4181 available by request