8020-4506 Screening compound: methyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4506 Screening compound: methyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4506 Screening compound: methyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4506
methyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

8020-4506

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

methyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 6-[(23-dihydro-1H-indol-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

COC(C(C(c(cc1)ccc1OC)N1)=C(CN(CC2)c3c2cccc3)NC1=O)=O

InChI

InChI=1S/C22H23N3O4/c1-28-16-9-7-15(8-10-16)20-19(21(26)29-2)17(23-22(27)24-20)13-25-12-11-14-5-3-4-6-18(14)25/h3-10,20H,11-13H2,1-2H3,(H2,23,24,27)/t20-/m1/s1

InChI Key

HTWVNHOIFJCGAE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07155076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

2.681

Water Solubility, LogSw

-2.99

Polar Surface Area

67.945

Acid Dissociation Constant (pKa)

5.32

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8020-4506 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8020-4506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4506?
Check Price and Availability of 8020-4506, 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 8020-4506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4506
  • 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 8020-4506 available by request