G807-0957 Screening compound: 5-benzyl-2-({[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-methylpyrimidin-4-ol

G807-0957 Screening compound: 5-benzyl-2-({[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-methylpyrimidin-4-ol
G807-0957 Screening compound: 5-benzyl-2-({[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-methylpyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound G807-0957
5-benzyl-2-({[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-6-methylpyrimidin-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

G807-0957

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

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

IUPAC name

5-benzyl-2-({[3-(3-ethoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-6-methylpyrimidin-4-ol

SMILES

CCOc1cccc(-c2noc(CSc3nc(O)c(Cc4ccccc4)c(C)n3)n2)c1

InChI

InChI=1S/C23H22N4O3S/c1-3-29-18-11-7-10-17(13-18)21-25-20(30-27-21)14-31-23-24-15(2)19(22(28)26-23)12-16-8-5-4-6-9-16/h4-11,13H,3,12,14H2,1-2H3,(H,24,26,28)

InChI Key

YCCZLVJRTRIODO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

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

5.462

Distribution Coefficient, logD

5.442

Water Solubility, LogSw

-5.41

Polar Surface Area

72.992

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G807-0957 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 G807-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G807-0957?
Check Price and Availability of G807-0957, 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 G807-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G807-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G807-0957
  • 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 G807-0957 available by request