G642-1844 Screening compound: 1-(2-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-5-(3-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one

G642-1844 Screening compound: 1-(2-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-5-(3-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one
G642-1844 Screening compound: 1-(2-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-5-(3-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-1844
1-(2-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-5-(3-chlorophenyl)-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

G642-1844

Molecular Formula

C25H20ClN3O4S (C25 H20 ClN3 O4 S)

Compound Name

1-(2-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-5-(3-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethan-1-one

IUPAC name

1-(2-{3-[(13-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-5-(3-chlorophenyl)-23-dihydro-134-oxadiazol-3-yl)ethan-1-one

SMILES

CC(N1N=C(c2cccc(Cl)c2)OC1c(cc1)cc(CSc2nc(cccc3)c3o2)c1OC)=O

InChI

InChI=1S/C25H20ClN3O4S/c1-15(30)29-24(33-23(28-29)16-6-5-7-19(26)13-16)17-10-11-21(31-2)18(12-17)14-34-25-27-20-8-3-4-9-22(20)32-25/h3-13,24H,14H2,1-2H3/t24-/m1/s1

InChI Key

PLCFHCPXPWJEJB-XMMPIXPASA-N

MDL Number (MFCD)

MFCD15025305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.160

Distribution Coefficient, logD

6.160

Water Solubility, LogSw

-6.22

Polar Surface Area

59.274

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

G642-1844 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G642-1844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-1844?
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What is the minimum amount of G642-1844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1844
  • 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 G642-1844 available by request