G642-2347 Screening compound: 4-[3-acetyl-5-(2-phenylquinolin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-bromo-6-methoxyphenyl acetate

G642-2347 Screening compound: 4-[3-acetyl-5-(2-phenylquinolin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-bromo-6-methoxyphenyl acetate
G642-2347 Screening compound: 4-[3-acetyl-5-(2-phenylquinolin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-bromo-6-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-2347
4-[3-acetyl-5-(2-phenylquinolin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-bromo-6-methoxyphenyl 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

G642-2347

Molecular Formula

C28H22BrN3O5 (C28 H22 BrN3 O5)

Compound Name

4-[3-acetyl-5-(2-phenylquinolin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-bromo-6-methoxyphenyl acetate

IUPAC name

4-[3-acetyl-5-(2-phenylquinolin-4-yl)-23-dihydro-134-oxadiazol-2-yl]-2-bromo-6-methoxyphenyl acetate

SMILES

CC(N1N=C(c2cc(-c3ccccc3)nc3ccccc23)OC1c(cc1OC)cc(Br)c1OC(C)=O)=O

InChI

InChI=1S/C28H22BrN3O5/c1-16(33)32-28(19-13-22(29)26(36-17(2)34)25(14-19)35-3)37-27(31-32)21-15-24(18-9-5-4-6-10-18)30-23-12-8-7-11-20(21)23/h4-15,28H,1-3H3/t28-/m0/s1

InChI Key

SANUVBFCQZINDB-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD15025391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.754

Distribution Coefficient, logD

5.319

Water Solubility, LogSw

-5.89

Polar Surface Area

71.865

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

G642-2347 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 G642-2347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-2347?
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What is the minimum amount of G642-2347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-2347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-2347
  • 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 G642-2347 available by request