G642-6622 Screening compound: 4-[4-acetyl-5-(6-methylpyridin-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-iodophenyl acetate

G642-6622 Screening compound: 4-[4-acetyl-5-(6-methylpyridin-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-iodophenyl acetate
G642-6622 Screening compound: 4-[4-acetyl-5-(6-methylpyridin-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-iodophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6622
4-[4-acetyl-5-(6-methylpyridin-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-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

G642-6622

Molecular Formula

C18H16IN3O4 (C18 H16 IN3 O4)

Compound Name

4-[4-acetyl-5-(6-methylpyridin-3-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-iodophenyl acetate

IUPAC name

4-[4-acetyl-5-(6-methylpyridin-3-yl)-45-dihydro-134-oxadiazol-2-yl]-2-iodophenyl acetate

SMILES

CC(N1N=C(c(cc2)cc(I)c2OC(C)=O)OC1c1cnc(C)cc1)=O

InChI

InChI=1S/C18H16IN3O4/c1-10-4-5-14(9-20-10)18-22(11(2)23)21-17(26-18)13-6-7-16(15(19)8-13)25-12(3)24/h4-9,18H,1-3H3/t18-/m1/s1

InChI Key

RDMFFGBHWLSXND-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15025613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.06

Polar Surface Area

65.033

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G642-6622 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 G642-6622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6622?
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What is the minimum amount of G642-6622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6622
  • 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 G642-6622 available by request