2181-0503 Screening compound: 4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 4-tert-butylbenzoate

2181-0503 Screening compound: 4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 4-tert-butylbenzoate
2181-0503 Screening compound: 4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 4-tert-butylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0503
4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 4-tert-butylbenzoate

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

2181-0503

Molecular Formula

C25H25N3O3 (C25 H25 N3 O3)

Compound Name

4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 4-tert-butylbenzoate

IUPAC name

4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 4-tert-butylbenzoate

SMILES

CC(C)(C)c(cc1)ccc1C(Oc1ccc(/C=N\NC(c2cnc(C)cc2)=O)cc1)=O

InChI

InChI=1S/C25H25N3O3/c1-17-5-8-20(16-26-17)23(29)28-27-15-18-6-13-22(14-7-18)31-24(30)19-9-11-21(12-10-19)25(2,3)4/h5-16H,1-4H3,(H,28,29)

InChI Key

ZHIFNUFDSLSXBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01065037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.307

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.30

Polar Surface Area

64.876

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2181-0503 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 2181-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0503?
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What is the minimum amount of 2181-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0503
  • 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 2181-0503 available by request