G642-1917 Screening compound: 1-[3-acetyl-5-({[5-bromo-3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}methyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]naphthalen-2-yl acetate

G642-1917 Screening compound: 1-[3-acetyl-5-({[5-bromo-3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}methyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]naphthalen-2-yl acetate
G642-1917 Screening compound: 1-[3-acetyl-5-({[5-bromo-3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}methyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]naphthalen-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-1917
1-[3-acetyl-5-({[5-bromo-3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}methyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]naphthalen-2-yl acetate

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

G642-1917

Molecular Formula

C26H23BrN4O6 (C26 H23 BrN4 O6)

Compound Name

1-[3-acetyl-5-({[5-bromo-3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}methyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]naphthalen-2-yl acetate

IUPAC name

1-[3-acetyl-5-({[5-bromo-3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}methyl)-23-dihydro-134-oxadiazol-2-yl]naphthalen-2-yl acetate

SMILES

CC(N1N=C(COc(nc(C)c(Br)c2COC)c2C#N)OC1c(c1ccccc1cc1)c1OC(C)=O)=O

InChI

InChI=1S/C26H23BrN4O6/c1-14-24(27)20(12-34-4)19(11-28)25(29-14)35-13-22-30-31(15(2)32)26(37-22)23-18-8-6-5-7-17(18)9-10-21(23)36-16(3)33/h5-10,26H,12-13H2,1-4H3/t26-/m1/s1

InChI Key

BEIOJJUQQCFRNY-AREMUKBSSA-N

MDL Number (MFCD)

MFCD15025328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-4.55

Polar Surface Area

98.893

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

G642-1917 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G642-1917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-1917?
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What is the minimum amount of G642-1917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1917
  • 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 G642-1917 available by request