7275-0047 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

7275-0047 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
7275-0047 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7275-0047
2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

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

7275-0047

Molecular Formula

C23H20N6O5 (C23 H20 N6 O5)

Compound Name

2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

IUPAC name

2-(13-dimethyl-26-dioxo-2369-tetrahydro-1H-purin-9-yl)-N-[4-hydroxy-3-(5-methyl-13-benzoxazol-2-yl)phenyl]acetamide

SMILES

Cc(cc1)cc2c1oc(-c(cc(cc1)NC(Cn3c(N(C)C(N(C)C4=O)=O)c4nc3)=O)c1O)n2

InChI

InChI=1S/C23H20N6O5/c1-12-4-7-17-15(8-12)26-20(34-17)14-9-13(5-6-16(14)30)25-18(31)10-29-11-24-19-21(29)27(2)23(33)28(3)22(19)32/h4-9,11,30H,10H2,1-3H3,(H,25,31)

InChI Key

UDUGMUIUPXDZGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05991726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

3.273

Water Solubility, LogSw

-3.22

Polar Surface Area

99.412

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

7275-0047 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 7275-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7275-0047?
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What is the minimum amount of 7275-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7275-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7275-0047
  • 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 7275-0047 available by request