E567-0331 Screening compound: methyl 4-({[(1,2-benzoxazol-3-yl)methyl]carbamoyl}amino)benzoate

E567-0331 Screening compound: methyl 4-({[(1,2-benzoxazol-3-yl)methyl]carbamoyl}amino)benzoate
E567-0331 Screening compound: methyl 4-({[(1,2-benzoxazol-3-yl)methyl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E567-0331
methyl 4-({[(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

E567-0331

Molecular Formula

C17H15N3O4 (C17 H15 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(NCc1noc2c1cccc2)=O)=O

InChI

InChI=1S/C17H15N3O4/c1-23-16(21)11-6-8-12(9-7-11)19-17(22)18-10-14-13-4-2-3-5-15(13)24-20-14/h2-9H,10H2,1H3,(H2,18,19,22)

InChI Key

KTDBMMQXDZNUPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.285

Water Solubility, LogSw

-3.49

Polar Surface Area

77.732

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E567-0331 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E567-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E567-0331?
Check Price and Availability of E567-0331, 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 E567-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E567-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E567-0331
  • 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 E567-0331 available by request