E214-0438 Screening compound: 5-{[3-(2-chlorobenzyl)tetrahydro-1(2H)-pyrimidinyl]sulfonyl}-6-methyl-2,4(1H,3H)-pyrimidinedione

E214-0438 Screening compound: 5-{[3-(2-chlorobenzyl)tetrahydro-1(2H)-pyrimidinyl]sulfonyl}-6-methyl-2,4(1H,3H)-pyrimidinedione
E214-0438 Screening compound: 5-{[3-(2-chlorobenzyl)tetrahydro-1(2H)-pyrimidinyl]sulfonyl}-6-methyl-2,4(1H,3H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound E214-0438
5-{[3-(2-chlorobenzyl)tetrahydro-1(2H)-pyrimidinyl]sulfonyl}-6-methyl-2,4(1H,3H)-pyrimidinedione

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

E214-0438

Molecular Formula

C16H19ClN4O4S (C16 H19 ClN4 O4 S)

Compound Name

5-{[3-(2-chlorobenzyl)tetrahydro-1(2H)-pyrimidinyl]sulfonyl}-6-methyl-2,4(1H,3H)-pyrimidinedione

IUPAC name

n/a

SMILES

CC(NC(NC1=O)=O)=C1S(N1CN(Cc(cccc2)c2Cl)CCC1)(=O)=O

InChI

InChI=1S/C16H19ClN4O4S/c1-11-14(15(22)19-16(23)18-11)26(24,25)21-8-4-7-20(10-21)9-12-5-2-3-6-13(12)17/h2-3,5-6H,4,7-10H2,1H3,(H2,18,19,22,23)

InChI Key

LLFSIUJGIKNPIO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.176

Distribution Coefficient, logD

-1.592

Water Solubility, LogSw

-2.69

Polar Surface Area

84.764

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E214-0438 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E214-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E214-0438?
Check Price and Availability of E214-0438, 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 E214-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E214-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E214-0438
  • 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 E214-0438 available by request