E569-0231 Screening compound: ethyl 4-({[(5-methyl-1,2-benzoxazol-3-yl)methyl]carbamoyl}amino)benzoate

E569-0231 Screening compound: ethyl 4-({[(5-methyl-1,2-benzoxazol-3-yl)methyl]carbamoyl}amino)benzoate
E569-0231 Screening compound: ethyl 4-({[(5-methyl-1,2-benzoxazol-3-yl)methyl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E569-0231
ethyl 4-({[(5-methyl-1,2-benzoxazol-3-yl)methyl]carbamoyl}amino)benzoate

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

E569-0231

Molecular Formula

C19H19N3O4 (C19 H19 N3 O4)

Compound Name

ethyl 4-({[(5-methyl-1,2-benzoxazol-3-yl)methyl]carbamoyl}amino)benzoate

IUPAC name

ethyl 4-({[(5-methyl-12-benzoxazol-3-yl)methyl]carbamoyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(NCc1noc2c1cc(C)cc2)=O)=O

InChI

InChI=1S/C19H19N3O4/c1-3-25-18(23)13-5-7-14(8-6-13)21-19(24)20-11-16-15-10-12(2)4-9-17(15)26-22-16/h4-10H,3,11H2,1-2H3,(H2,20,21,24)

InChI Key

JEHKVOUJNTUHKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.12

Polar Surface Area

77.312

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E569-0231 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E569-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E569-0231?
Check Price and Availability of E569-0231, 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 E569-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E569-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E569-0231
  • 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 E569-0231 available by request