G642-6544 Screening compound: 2-[3-acetyl-5-(3-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate

G642-6544 Screening compound: 2-[3-acetyl-5-(3-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate
G642-6544 Screening compound: 2-[3-acetyl-5-(3-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6544
2-[3-acetyl-5-(3-chlorophenyl)-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

G642-6544

Molecular Formula

C18H14ClIN2O4 (C18 H14 ClIN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(N1N=C(c2cc(Cl)ccc2)OC1c(cc(cc1)I)c1OC(C)=O)=O

InChI

InChI=1S/C18H14ClIN2O4/c1-10(23)22-18(15-9-14(20)6-7-16(15)25-11(2)24)26-17(21-22)12-4-3-5-13(19)8-12/h3-9,18H,1-2H3/t18-/m0/s1

InChI Key

FCZLBJHXUKBRDG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27148594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-5.07

Polar Surface Area

56.089

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

G642-6544 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G642-6544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6544?
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What is the minimum amount of G642-6544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6544
  • 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 G642-6544 available by request