E726-0086 Screening compound: ethyl 4-amino-2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)pyrimidine-5-carboxylate

E726-0086 Screening compound: ethyl 4-amino-2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)pyrimidine-5-carboxylate
E726-0086 Screening compound: ethyl 4-amino-2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E726-0086
ethyl 4-amino-2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]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

E726-0086

Molecular Formula

C18H17ClN4O3S (C18 H17 ClN4 O3 S)

Compound Name

ethyl 4-amino-2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)pyrimidine-5-carboxylate

IUPAC name

ethyl 4-amino-2-({[2-(2-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)pyrimidine-5-carboxylate

SMILES

CCOC(c(cn1)c(N)nc1SCc1c(C)oc(-c(cccc2)c2Cl)n1)=O

InChI

InChI=1S/C18H17ClN4O3S/c1-3-25-17(24)12-8-21-18(23-15(12)20)27-9-14-10(2)26-16(22-14)11-6-4-5-7-13(11)19/h4-8H,3,9H2,1-2H3,(H2,20,21,23)

InChI Key

CLWAGTLEVUQUDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.24

Polar Surface Area

77.354

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E726-0086 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E726-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E726-0086?
Check Price and Availability of E726-0086, 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 E726-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E726-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E726-0086
  • 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 E726-0086 available by request