E726-0236 Screening compound: ethyl 4-amino-2-[({[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}methyl)sulfanyl]pyrimidine-5-carboxylate

E726-0236 Screening compound: ethyl 4-amino-2-[({[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}methyl)sulfanyl]pyrimidine-5-carboxylate
E726-0236 Screening compound: ethyl 4-amino-2-[({[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}methyl)sulfanyl]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E726-0236
ethyl 4-amino-2-[({[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}methyl)sulfanyl]pyrimidine-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

E726-0236

Molecular Formula

C19H24N4O5S2 (C19 H24 N4 O5 S2)

Compound Name

ethyl 4-amino-2-[({[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}methyl)sulfanyl]pyrimidine-5-carboxylate

IUPAC name

ethyl 4-amino-2-[({[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}methyl)sulfanyl]pyrimidine-5-carboxylate

SMILES

CCc1c(C)sc(NC(CSc(nc2)nc(N)c2C(OCC)=O)=O)c1C(OCC)=O

InChI

InChI=1S/C19H24N4O5S2/c1-5-11-10(4)30-16(14(11)18(26)28-7-3)22-13(24)9-29-19-21-8-12(15(20)23-19)17(25)27-6-2/h8H,5-7,9H2,1-4H3,(H,22,24)(H2,20,21,23)

InChI Key

ANTVAAKFWPTRGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.392

Distribution Coefficient, logD

1.347

Water Solubility, LogSw

-3.82

Polar Surface Area

102.930

Acid Dissociation Constant (pKa)

5.36

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

E726-0236 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with E726-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E726-0236?
Check Price and Availability of E726-0236, 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 E726-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E726-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E726-0236
  • 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 E726-0236 available by request