D338-0001 Screening compound: 5-{2,4-dioxo-6-phenyl-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

D338-0001 Screening compound: 5-{2,4-dioxo-6-phenyl-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
D338-0001 Screening compound: 5-{2,4-dioxo-6-phenyl-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 D338-0001
5-{2,4-dioxo-6-phenyl-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

D338-0001

Molecular Formula

C20H14N6O4 (C20 H14 N6 O4)

Compound Name

5-{2,4-dioxo-6-phenyl-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-{24-dioxo-6-phenyl-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-5-yl}-6-(1H-pyrrol-1-yl)-1234-tetrahydropyrimidine-24-dione

SMILES

O=C(c(c(C(C(NC(N1)=O)=O)=C1n1cccc1)c(-c1ccccc1)[nH]1)c1N1)NC1=O

InChI

InChI=1S/C20H14N6O4/c27-17-12-11(13-16(26-8-4-5-9-26)23-20(30)25-18(13)28)14(10-6-2-1-3-7-10)21-15(12)22-19(29)24-17/h1-9H,(H2,23,25,28,30)(H3,21,22,24,27,29)

InChI Key

MTBYEPCMSSJOKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.317

Distribution Coefficient, logD

1.120

Water Solubility, LogSw

-2.02

Polar Surface Area

112.522

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D338-0001 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D338-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D338-0001?
Check Price and Availability of D338-0001, 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 D338-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D338-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D338-0001
  • 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 D338-0001 available by request