7275-0154 Screening compound: 4-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)acetamido]benzoic acid

7275-0154 Screening compound: 4-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)acetamido]benzoic acid
7275-0154 Screening compound: 4-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)acetamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7275-0154
4-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)acetamido]benzoic acid

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

7275-0154

Molecular Formula

C16H15N5O5 (C16 H15 N5 O5)

Compound Name

4-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)acetamido]benzoic acid

IUPAC name

4-[2-(13-dimethyl-26-dioxo-2369-tetrahydro-1H-purin-9-yl)acetamido]benzoic acid

SMILES

CN(c1c(C(N2C)=O)ncn1CC(Nc(cc1)ccc1C(O)=O)=O)C2=O

InChI

InChI=1S/C16H15N5O5/c1-19-13-12(14(23)20(2)16(19)26)17-8-21(13)7-11(22)18-10-5-3-9(4-6-10)15(24)25/h3-6,8H,7H2,1-2H3,(H,18,22)(H,24,25)

InChI Key

XTLASCQAYIXEEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.950

Distribution Coefficient, logD

-1.445

Water Solubility, LogSw

-1.97

Polar Surface Area

94.462

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

7275-0154 in Drug Discovery

Included in Screening Libraries

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 7275-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7275-0154?
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What is the minimum amount of 7275-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7275-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7275-0154
  • 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 7275-0154 available by request