G642-0552 Screening compound: 2-(4-{3-acetyl-5-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenoxy)acetonitrile

G642-0552 Screening compound: 2-(4-{3-acetyl-5-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenoxy)acetonitrile
G642-0552 Screening compound: 2-(4-{3-acetyl-5-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenoxy)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-0552
2-(4-{3-acetyl-5-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenoxy)acetonitrile

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

G642-0552

Molecular Formula

C21H21N7O6 (C21 H21 N7 O6)

Compound Name

2-(4-{3-acetyl-5-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenoxy)acetonitrile

IUPAC name

2-(4-{3-acetyl-5-[(13-dimethyl-26-dioxo-2369-tetrahydro-1H-purin-9-yl)methyl]-23-dihydro-134-oxadiazol-2-yl}-2-methoxyphenoxy)acetonitrile

SMILES

CC(N1N=C(Cn2c(N(C)C(N(C)C3=O)=O)c3nc2)OC1c(cc1)cc(OC)c1OCC#N)=O

InChI

InChI=1S/C21H21N7O6/c1-12(29)28-20(13-5-6-14(33-8-7-22)15(9-13)32-4)34-16(24-28)10-27-11-23-17-18(27)25(2)21(31)26(3)19(17)30/h5-6,9,11,20H,8,10H2,1-4H3/t20-/m1/s1

InChI Key

FPVQVQRIKFDSAX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15025157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.279

Distribution Coefficient, logD

0.279

Water Solubility, LogSw

-1.67

Polar Surface Area

110.961

Acid Dissociation Constant (pKa)

21.96

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G642-0552 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G642-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-0552?
Check Price and Availability of G642-0552, 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 G642-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-0552
  • 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 G642-0552 available by request