G642-6543 Screening compound: 2-[3-acetyl-5-(3-ethoxy-4-hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate

G642-6543 Screening compound: 2-[3-acetyl-5-(3-ethoxy-4-hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate
G642-6543 Screening compound: 2-[3-acetyl-5-(3-ethoxy-4-hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6543
2-[3-acetyl-5-(3-ethoxy-4-hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl 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

G642-6543

Molecular Formula

C20H19IN2O6 (C20 H19 IN2 O6)

Compound Name

2-[3-acetyl-5-(3-ethoxy-4-hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate

IUPAC name

2-[3-acetyl-5-(3-ethoxy-4-hydroxyphenyl)-23-dihydro-134-oxadiazol-2-yl]-4-iodophenyl acetate

SMILES

CCOc(cc(cc1)C(OC2c(cc(cc3)I)c3OC(C)=O)=NN2C(C)=O)c1O

InChI

InChI=1S/C20H19IN2O6/c1-4-27-18-9-13(5-7-16(18)26)19-22-23(11(2)24)20(29-19)15-10-14(21)6-8-17(15)28-12(3)25/h5-10,20,26H,4H2,1-3H3/t20-/m0/s1

InChI Key

IEFRRQHXLBLJIA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27148593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.962

Water Solubility, LogSw

-3.70

Polar Surface Area

79.847

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G642-6543 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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 G642-6543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6543?
Check Price and Availability of G642-6543, 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 G642-6543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6543
  • 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 G642-6543 available by request