G807-0852 Screening compound: 6-(4-methoxyphenyl)-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol

G807-0852 Screening compound: 6-(4-methoxyphenyl)-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol
G807-0852 Screening compound: 6-(4-methoxyphenyl)-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound G807-0852
6-(4-methoxyphenyl)-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol

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

G807-0852

Molecular Formula

C21H15F3N4O4S (C21 H15 F3 N4 O4 S)

Compound Name

6-(4-methoxyphenyl)-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol

IUPAC name

6-(4-methoxyphenyl)-2-[({3-[4-(trifluoromethoxy)phenyl]-124-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol

SMILES

COc(cc1)ccc1-c1nc(SCc2nc(-c(cc3)ccc3OC(F)(F)F)no2)nc(O)c1

InChI

InChI=1S/C21H15F3N4O4S/c1-30-14-6-2-12(3-7-14)16-10-17(29)26-20(25-16)33-11-18-27-19(28-32-18)13-4-8-15(9-5-13)31-21(22,23)24/h2-10H,11H2,1H3,(H,25,26,29)

InChI Key

YGCWMGHGHDKXSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.308

Distribution Coefficient, logD

6.071

Water Solubility, LogSw

-5.57

Polar Surface Area

79.071

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G807-0852 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G807-0852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G807-0852?
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What is the minimum amount of G807-0852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G807-0852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G807-0852
  • 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 G807-0852 available by request