G642-5800 Screening compound: 2-[(3-acetyl-5-{4-[(4-nitrophenyl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

G642-5800 Screening compound: 2-[(3-acetyl-5-{4-[(4-nitrophenyl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
G642-5800 Screening compound: 2-[(3-acetyl-5-{4-[(4-nitrophenyl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-5800
2-[(3-acetyl-5-{4-[(4-nitrophenyl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

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

G642-5800

Molecular Formula

C27H25N5O7 (C27 H25 N5 O7)

Compound Name

2-[(3-acetyl-5-{4-[(4-nitrophenyl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

IUPAC name

2-[(3-acetyl-5-{4-[(4-nitrophenyl)methoxy]phenyl}-23-dihydro-134-oxadiazol-2-yl)methoxy]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

SMILES

CC(N1N=C(c(cc2)ccc2OCc(cc2)ccc2[N+]([O-])=O)OC1COc1nc(C)cc(COC)c1C#N)=O

InChI

InChI=1S/C27H25N5O7/c1-17-12-21(15-36-3)24(13-28)27(29-17)38-16-25-31(18(2)33)30-26(39-25)20-6-10-23(11-7-20)37-14-19-4-8-22(9-5-19)32(34)35/h4-12,25H,14-16H2,1-3H3/t25-/m1/s1

InChI Key

LHXVIWMGUUKDRA-RUZDIDTESA-N

MDL Number (MFCD)

MFCD15025451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

4.005

Water Solubility, LogSw

-4.43

Polar Surface Area

118.214

Acid Dissociation Constant (pKa)

24.41

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

G642-5800 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 G642-5800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-5800?
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What is the minimum amount of G642-5800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-5800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-5800
  • 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 G642-5800 available by request