8003-0104 Screening compound: 5-[5-({(E)-2-[6-(4-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazono}methyl)-2-furyl]-2-hydroxybenzoic acid

8003-0104 Screening compound: 5-[5-({(E)-2-[6-(4-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazono}methyl)-2-furyl]-2-hydroxybenzoic acid
8003-0104 Screening compound: 5-[5-({(E)-2-[6-(4-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazono}methyl)-2-furyl]-2-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0104
5-[5-({(E)-2-[6-(4-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazono}methyl)-2-furyl]-2-hydroxybenzoic acid

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

8003-0104

Molecular Formula

C22H14FN7O5 (C22 H14 FN7 O5)

Compound Name

5-[5-({(E)-2-[6-(4-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazono}methyl)-2-furyl]-2-hydroxybenzoic acid

IUPAC name

5-{5-[(E)-(2-{6-[(4-fluorophenyl)amino]-[125]oxadiazolo[34-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]furan-2-yl}-2-hydroxybenzoic acid

SMILES

OC(c(cc(cc1)-c2ccc(/C=N/Nc3nc4nonc4nc3Nc(cc3)ccc3F)o2)c1O)=O

InChI

InChI=1S/C22H14FN7O5/c23-12-2-4-13(5-3-12)25-18-19(27-21-20(26-18)29-35-30-21)28-24-10-14-6-8-17(34-14)11-1-7-16(31)15(9-11)22(32)33/h1-10,31H,(H,32,33)(H,25,26,29)(H,27,28,30)

InChI Key

SGPLXRGMRTWXNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00501840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.224

Distribution Coefficient, logD

2.076

Water Solubility, LogSw

-5.80

Polar Surface Area

139.297

Acid Dissociation Constant (pKa)

3.25

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-0104 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 8003-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0104?
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What is the minimum amount of 8003-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0104
  • 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 8003-0104 available by request