8003-2618 Screening compound: 4-bromo-2-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate

8003-2618 Screening compound: 4-bromo-2-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate
8003-2618 Screening compound: 4-bromo-2-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-2618
4-bromo-2-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate

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

8003-2618

Molecular Formula

C28H31BrN2O5 (C28 H31 BrN2 O5)

Compound Name

4-bromo-2-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate

IUPAC name

4-bromo-2-[(E)-({2-[4-(244-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate

SMILES

CC(C)(C)CC(C)(C)c(cc1)ccc1OCC(N/N=C/c(cc(cc1)Br)c1OC(c1ccco1)=O)=O

InChI

InChI=1S/C28H31BrN2O5/c1-27(2,3)18-28(4,5)20-8-11-22(12-9-20)35-17-25(32)31-30-16-19-15-21(29)10-13-23(19)36-26(33)24-7-6-14-34-24/h6-16H,17-18H2,1-5H3,(H,31,32)

InChI Key

UEAHXQCOEUDZFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00734647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.205

Distribution Coefficient, logD

7.201

Water Solubility, LogSw

-5.67

Polar Surface Area

71.883

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

8003-2618 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8003-2618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-2618?
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What is the minimum amount of 8003-2618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-2618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-2618
  • 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 8003-2618 available by request