8003-1627 Screening compound: 2-nitro-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate

8003-1627 Screening compound: 2-nitro-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate
8003-1627 Screening compound: 2-nitro-4-[(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 8003-1627
2-nitro-4-[(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

8003-1627

Molecular Formula

C28H31N3O7 (C28 H31 N3 O7)

Compound Name

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

IUPAC name

2-nitro-4-[(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(cc1)cc([N+]([O-])=O)c1OC(c1ccco1)=O)=O

InChI

InChI=1S/C28H31N3O7/c1-27(2,3)18-28(4,5)20-9-11-21(12-10-20)37-17-25(32)30-29-16-19-8-13-23(22(15-19)31(34)35)38-26(33)24-7-6-14-36-24/h6-16H,17-18H2,1-5H3,(H,30,32)

InChI Key

VUZCJNKPAUZZLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00734327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.961

Distribution Coefficient, logD

5.961

Water Solubility, LogSw

-5.55

Polar Surface Area

104.963

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

8003-1627 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 8003-1627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-1627?
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What is the minimum amount of 8003-1627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-1627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-1627
  • 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 8003-1627 available by request