D702-0202 Screening compound: ethyl 3-[2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetamido]benzoate

D702-0202 Screening compound: ethyl 3-[2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetamido]benzoate
D702-0202 Screening compound: ethyl 3-[2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D702-0202
ethyl 3-[2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetamido]benzoate

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

D702-0202

Molecular Formula

C22H21N3O5 (C22 H21 N3 O5)

Compound Name

ethyl 3-[2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetamido]benzoate

IUPAC name

ethyl 3-[2-(3-benzyl-26-dioxo-1236-tetrahydropyrimidin-1-yl)acetamido]benzoate

SMILES

CCOC(c1cccc(NC(CN(C(C=CN2Cc3ccccc3)=O)C2=O)=O)c1)=O

InChI

InChI=1S/C22H21N3O5/c1-2-30-21(28)17-9-6-10-18(13-17)23-19(26)15-25-20(27)11-12-24(22(25)29)14-16-7-4-3-5-8-16/h3-13H,2,14-15H2,1H3,(H,23,26)

InChI Key

OJIDHCIYYCAZHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.741

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-3.12

Polar Surface Area

76.059

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D702-0202 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 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 D702-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D702-0202?
Check Price and Availability of D702-0202, 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 D702-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D702-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D702-0202
  • 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 D702-0202 available by request