G642-2727 Screening compound: 2-{3-acetyl-5-[2-(benzyloxy)-5-bromophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-(prop-2-en-1-yl)phenyl acetate

G642-2727 Screening compound: 2-{3-acetyl-5-[2-(benzyloxy)-5-bromophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-(prop-2-en-1-yl)phenyl acetate
G642-2727 Screening compound: 2-{3-acetyl-5-[2-(benzyloxy)-5-bromophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-(prop-2-en-1-yl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-2727
2-{3-acetyl-5-[2-(benzyloxy)-5-bromophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-(prop-2-en-1-yl)phenyl 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

G642-2727

Molecular Formula

C28H25BrN2O5 (C28 H25 BrN2 O5)

Compound Name

2-{3-acetyl-5-[2-(benzyloxy)-5-bromophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-(prop-2-en-1-yl)phenyl acetate

IUPAC name

2-{3-acetyl-5-[2-(benzyloxy)-5-bromophenyl]-23-dihydro-134-oxadiazol-2-yl}-6-(prop-2-en-1-yl)phenyl acetate

SMILES

CC(N1N=C(c(cc(cc2)Br)c2OCc2ccccc2)OC1c(cccc1CC=C)c1OC(C)=O)=O

InChI

InChI=1S/C28H25BrN2O5/c1-4-9-21-12-8-13-23(26(21)35-19(3)33)28-31(18(2)32)30-27(36-28)24-16-22(29)14-15-25(24)34-17-20-10-6-5-7-11-20/h4-8,10-16,28H,1,9,17H2,2-3H3/t28-/m1/s1

InChI Key

CBZUFFPMAUQDEY-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD27148566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.200

Distribution Coefficient, logD

6.200

Water Solubility, LogSw

-5.63

Polar Surface Area

63.490

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

G642-2727 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G642-2727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-2727?
Check Price and Availability of G642-2727, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G642-2727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-2727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-2727
  • 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 G642-2727 available by request