D338-0095 Screening compound: 5-[6-(3-fluoro-4-methoxyphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

D338-0095 Screening compound: 5-[6-(3-fluoro-4-methoxyphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
D338-0095 Screening compound: 5-[6-(3-fluoro-4-methoxyphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D338-0095
5-[6-(3-fluoro-4-methoxyphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

D338-0095

Molecular Formula

C21H15FN6O5 (C21 H15 FN6 O5)

Compound Name

5-[6-(3-fluoro-4-methoxyphenyl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

5-[6-(3-fluoro-4-methoxyphenyl)-24-dioxo-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-5-yl]-6-(1H-pyrrol-1-yl)-1234-tetrahydropyrimidine-24-dione

SMILES

COc(ccc(-c([nH]c(NC(N1)=O)c2C1=O)c2C(C(NC(N1)=O)=O)=C1n1cccc1)c1)c1F

InChI

InChI=1S/C21H15FN6O5/c1-33-11-5-4-9(8-10(11)22)15-12(13-16(23-15)24-20(31)26-18(13)29)14-17(28-6-2-3-7-28)25-21(32)27-19(14)30/h2-8H,1H3,(H2,25,27,30,32)(H3,23,24,26,29,31)

InChI Key

YBETVZOHRAWVHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.507

Distribution Coefficient, logD

1.309

Water Solubility, LogSw

-2.12

Polar Surface Area

120.152

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D338-0095 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D338-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D338-0095?
Check Price and Availability of D338-0095, 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 D338-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D338-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D338-0095
  • 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 D338-0095 available by request