G642-1854 Screening compound: 2-{3-acetyl-5-[2-(4-nitrobenzamido)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxyphenyl acetate

G642-1854 Screening compound: 2-{3-acetyl-5-[2-(4-nitrobenzamido)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxyphenyl acetate
G642-1854 Screening compound: 2-{3-acetyl-5-[2-(4-nitrobenzamido)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-1854
2-{3-acetyl-5-[2-(4-nitrobenzamido)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxyphenyl 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

G642-1854

Molecular Formula

C26H22N4O8 (C26 H22 N4 O8)

Compound Name

2-{3-acetyl-5-[2-(4-nitrobenzamido)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxyphenyl acetate

IUPAC name

2-{3-acetyl-5-[2-(4-nitrobenzamido)phenyl]-23-dihydro-134-oxadiazol-2-yl}-6-methoxyphenyl acetate

SMILES

CC(N1N=C(c(cccc2)c2NC(c(cc2)ccc2[N+]([O-])=O)=O)OC1c(cccc1OC)c1OC(C)=O)=O

InChI

InChI=1S/C26H22N4O8/c1-15(31)29-26(20-8-6-10-22(36-3)23(20)37-16(2)32)38-25(28-29)19-7-4-5-9-21(19)27-24(33)17-11-13-18(14-12-17)30(34)35/h4-14,26H,1-3H3,(H,27,33)/t26-/m1/s1

InChI Key

ISPFETLQWBPNSN-AREMUKBSSA-N

MDL Number (MFCD)

MFCD15025310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.92

Polar Surface Area

119.581

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with G642-1854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-1854?
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What is the minimum amount of G642-1854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1854
  • 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 G642-1854 available by request