8005-7402 Screening compound: 3-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3-bromobenzoate

8005-7402 Screening compound: 3-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3-bromobenzoate
8005-7402 Screening compound: 3-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7402
3-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3-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

8005-7402

Molecular Formula

C30H33BrN2O4 (C30 H33 BrN2 O4)

Compound Name

3-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3-bromobenzoate

IUPAC name

3-[(E)-({2-[4-(244-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3-bromobenzoate

SMILES

CC(C)(C)CC(C)(C)c(cc1)ccc1OCC(N/N=C/c1cccc(OC(c2cccc(Br)c2)=O)c1)=O

InChI

InChI=1S/C30H33BrN2O4/c1-29(2,3)20-30(4,5)23-12-14-25(15-13-23)36-19-27(34)33-32-18-21-8-6-11-26(16-21)37-28(35)22-9-7-10-24(31)17-22/h6-18H,19-20H2,1-5H3,(H,33,34)

InChI Key

RSFQFLXSELLTBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.822

Distribution Coefficient, logD

7.822

Water Solubility, LogSw

-5.76

Polar Surface Area

63.218

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8005-7402 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8005-7402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7402?
Check Price and Availability of 8005-7402, 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 8005-7402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7402
  • 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 8005-7402 available by request