D338-0101 Screening compound: 5-[6-(3,4-dimethoxyphenyl)-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

D338-0101 Screening compound: 5-[6-(3,4-dimethoxyphenyl)-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
D338-0101 Screening compound: 5-[6-(3,4-dimethoxyphenyl)-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 D338-0101
5-[6-(3,4-dimethoxyphenyl)-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

D338-0101

Molecular Formula

C22H18N6O6 (C22 H18 N6 O6)

Compound Name

5-[6-(3,4-dimethoxyphenyl)-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-(34-dimethoxyphenyl)-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)c1OC

InChI

InChI=1S/C22H18N6O6/c1-33-11-6-5-10(9-12(11)34-2)16-13(14-17(23-16)24-21(31)26-19(14)29)15-18(28-7-3-4-8-28)25-22(32)27-20(15)30/h3-9H,1-2H3,(H2,25,27,30,32)(H3,23,24,26,29,31)

InChI Key

QGIQFSNFCWWDFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.020

Distribution Coefficient, logD

0.823

Water Solubility, LogSw

-2.08

Polar Surface Area

127.783

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D338-0101 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 D338-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D338-0101?
Check Price and Availability of D338-0101, 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 D338-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D338-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D338-0101
  • 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 D338-0101 available by request