G642-6617 Screening compound: 4-{4-acetyl-5-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}phenyl 2-(4-chloro-2-methylphenoxy)acetate

G642-6617 Screening compound: 4-{4-acetyl-5-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}phenyl 2-(4-chloro-2-methylphenoxy)acetate
G642-6617 Screening compound: 4-{4-acetyl-5-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}phenyl 2-(4-chloro-2-methylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6617
4-{4-acetyl-5-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}phenyl 2-(4-chloro-2-methylphenoxy)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

G642-6617

Molecular Formula

C26H22Cl2N2O6 (C26 H22 Cl2 N2 O6)

Compound Name

4-{4-acetyl-5-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}phenyl 2-(4-chloro-2-methylphenoxy)acetate

IUPAC name

4-{4-acetyl-5-[(4-chlorophenoxy)methyl]-45-dihydro-134-oxadiazol-2-yl}phenyl 2-(4-chloro-2-methylphenoxy)acetate

SMILES

CC(N1N=C(c(cc2)ccc2OC(COc(cc2)c(C)cc2Cl)=O)OC1COc(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H22Cl2N2O6/c1-16-13-20(28)7-12-23(16)34-15-25(32)35-22-8-3-18(4-9-22)26-29-30(17(2)31)24(36-26)14-33-21-10-5-19(27)6-11-21/h3-13,24H,14-15H2,1-2H3/t24-/m1/s1

InChI Key

SRJNDGRUVZMDPG-XMMPIXPASA-N

MDL Number (MFCD)

MFCD15025611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.268

Distribution Coefficient, logD

6.268

Water Solubility, LogSw

-6.27

Polar Surface Area

70.314

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

G642-6617 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with G642-6617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6617?
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What is the minimum amount of G642-6617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6617
  • 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 G642-6617 available by request