8018-7414 Screening compound: 2,6-diamino-5-[2-amino-6-(2H-1,3-benzodioxol-5-yl)-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4-dihydropyrimidin-4-one

8018-7414 Screening compound: 2,6-diamino-5-[2-amino-6-(2H-1,3-benzodioxol-5-yl)-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4-dihydropyrimidin-4-one
8018-7414 Screening compound: 2,6-diamino-5-[2-amino-6-(2H-1,3-benzodioxol-5-yl)-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7414
2,6-diamino-5-[2-amino-6-(2H-1,3-benzodioxol-5-yl)-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4-dihydropyrimidin-4-one

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

8018-7414

Molecular Formula

C17H14N8O4 (C17 H14 N8 O4)

Compound Name

2,6-diamino-5-[2-amino-6-(2H-1,3-benzodioxol-5-yl)-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4-dihydropyrimidin-4-one

IUPAC name

26-diamino-5-[2-amino-6-(2H-13-benzodioxol-5-yl)-4-oxo-3H4H7H-pyrrolo[23-d]pyrimidin-5-yl]-34-dihydropyrimidin-4-one

SMILES

NC(N=C(N)N1)=C(c2c(-c(cc3)cc4c3OCO4)[nH]c(N=C(N)N3)c2C3=O)C1=O

InChI

InChI=1S/C17H14N8O4/c18-12-9(14(26)24-16(19)22-12)8-10-13(23-17(20)25-15(10)27)21-11(8)5-1-2-6-7(3-5)29-4-28-6/h1-3H,4H2,(H5,18,19,22,24,26)(H4,20,21,23,25,27)

InChI Key

BGHFGVOSGWTMHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

9.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.593

Distribution Coefficient, logD

-0.761

Water Solubility, LogSw

-2.02

Polar Surface Area

161.646

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8018-7414 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-7414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7414?
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What is the minimum amount of 8018-7414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7414
  • 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 8018-7414 available by request