G807-0952 Screening compound: 5-benzyl-6-methyl-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol

G807-0952 Screening compound: 5-benzyl-6-methyl-2-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol
G807-0952 Screening compound: 5-benzyl-6-methyl-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 G807-0952
5-benzyl-6-methyl-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

G807-0952

Molecular Formula

C22H17F3N4O3S (C22 H17 F3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(SCc2nc(-c(cc3)ccc3OC(F)(F)F)no2)nc(O)c1Cc1ccccc1

InChI

InChI=1S/C22H17F3N4O3S/c1-13-17(11-14-5-3-2-4-6-14)20(30)28-21(26-13)33-12-18-27-19(29-32-18)15-7-9-16(10-8-15)31-22(23,24)25/h2-10H,11-12H2,1H3,(H,26,28,30)

InChI Key

OTGWIVZNELZRNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.206

Distribution Coefficient, logD

6.186

Water Solubility, LogSw

-5.73

Polar Surface Area

71.806

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G807-0952 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 G807-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G807-0952?
Check Price and Availability of G807-0952, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G807-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G807-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G807-0952
  • 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 G807-0952 available by request