2221-0112 Screening compound: N-(4-chlorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

2221-0112 Screening compound: N-(4-chlorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
2221-0112 Screening compound: N-(4-chlorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2221-0112
N-(4-chlorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

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

2221-0112

Molecular Formula

C21H22ClN3O5 (C21 H22 ClN3 O5)

Compound Name

N-(4-chlorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

N-(4-chlorophenyl)-6-methyl-2-oxo-4-(345-trimethoxyphenyl)-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(cc2OC)cc(OC)c2OC)=O)=C1C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H22ClN3O5/c1-11-17(20(26)24-14-7-5-13(22)6-8-14)18(25-21(27)23-11)12-9-15(28-2)19(30-4)16(10-12)29-3/h5-10,18H,1-4H3,(H,24,26)(H2,23,25,27)/t18-/m0/s1

InChI Key

HATDRLMQIGREGQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01126823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-3.61

Polar Surface Area

81.761

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

2221-0112 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2221-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2221-0112?
Check Price and Availability of 2221-0112, 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 2221-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2221-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2221-0112
  • 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 2221-0112 available by request