G642-1403 Screening compound: 1-(5-{2-[(3-bromophenyl)methoxy]phenyl}-2-(naphthalen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one

G642-1403 Screening compound: 1-(5-{2-[(3-bromophenyl)methoxy]phenyl}-2-(naphthalen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one
G642-1403 Screening compound: 1-(5-{2-[(3-bromophenyl)methoxy]phenyl}-2-(naphthalen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-1403
1-(5-{2-[(3-bromophenyl)methoxy]phenyl}-2-(naphthalen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one

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

G642-1403

Molecular Formula

C27H21BrN2O3 (C27 H21 BrN2 O3)

Compound Name

1-(5-{2-[(3-bromophenyl)methoxy]phenyl}-2-(naphthalen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one

IUPAC name

1-(5-{2-[(3-bromophenyl)methoxy]phenyl}-2-(naphthalen-2-yl)-23-dihydro-134-oxadiazol-3-yl)ethan-1-one

SMILES

CC(N1N=C(c(cccc2)c2OCc2cccc(Br)c2)OC1c1cc2ccccc2cc1)=O

InChI

InChI=1S/C27H21BrN2O3/c1-18(31)30-27(22-14-13-20-8-2-3-9-21(20)16-22)33-26(29-30)24-11-4-5-12-25(24)32-17-19-7-6-10-23(28)15-19/h2-16,27H,17H2,1H3/t27-/m1/s1

InChI Key

WCDHMISOXADUNF-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD15025189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.671

Distribution Coefficient, logD

6.671

Water Solubility, LogSw

-6.53

Polar Surface Area

42.294

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

G642-1403 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 G642-1403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-1403?
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What is the minimum amount of G642-1403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1403
  • 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 G642-1403 available by request