G807-0638 Screening compound: 6-(4-chlorophenyl)-2-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol

G807-0638 Screening compound: 6-(4-chlorophenyl)-2-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol
G807-0638 Screening compound: 6-(4-chlorophenyl)-2-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound G807-0638
6-(4-chlorophenyl)-2-[({3-[4-(trifluoromethyl)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

G807-0638

Molecular Formula

C20H12ClF3N4O2S (C20 H12 ClF3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Oc1cc(-c(cc2)ccc2Cl)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1

InChI

InChI=1S/C20H12ClF3N4O2S/c21-14-7-3-11(4-8-14)15-9-16(29)26-19(25-15)31-10-17-27-18(28-30-17)12-1-5-13(6-2-12)20(22,23)24/h1-9H,10H2,(H,25,26,29)

InChI Key

YAXBYKDOMLIZFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.602

Distribution Coefficient, logD

6.365

Water Solubility, LogSw

-6.43

Polar Surface Area

65.590

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G807-0638 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 G807-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G807-0638?
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What is the minimum amount of G807-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G807-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G807-0638
  • 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 G807-0638 available by request