8005-7298 Screening compound: 2-methoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-bromobenzoate

8005-7298 Screening compound: 2-methoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-bromobenzoate
8005-7298 Screening compound: 2-methoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7298
2-methoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-bromobenzoate

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

8005-7298

Molecular Formula

C31H35BrN2O5 (C31 H35 BrN2 O5)

Compound Name

2-methoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-bromobenzoate

IUPAC name

2-methoxy-4-[(E)-({2-[4-(244-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 2-bromobenzoate

SMILES

CC(C)(C)CC(C)(C)c(cc1)ccc1OCC(N/N=C/c(cc1)cc(OC)c1OC(c(cccc1)c1Br)=O)=O

InChI

InChI=1S/C31H35BrN2O5/c1-30(2,3)20-31(4,5)22-12-14-23(15-13-22)38-19-28(35)34-33-18-21-11-16-26(27(17-21)37-6)39-29(36)24-9-7-8-10-25(24)32/h7-18H,19-20H2,1-6H3,(H,34,35)

InChI Key

MLUJNOXHFODLLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.677

Distribution Coefficient, logD

7.676

Water Solubility, LogSw

-5.77

Polar Surface Area

70.935

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

8005-7298 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 8005-7298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7298?
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What is the minimum amount of 8005-7298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7298
  • 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 8005-7298 available by request