E567-0129 Screening compound: 3-[(1,2-benzoxazol-3-yl)methyl]-1-(4-bromophenyl)-1-methylurea

E567-0129 Screening compound: 3-[(1,2-benzoxazol-3-yl)methyl]-1-(4-bromophenyl)-1-methylurea
E567-0129 Screening compound: 3-[(1,2-benzoxazol-3-yl)methyl]-1-(4-bromophenyl)-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound E567-0129
3-[(1,2-benzoxazol-3-yl)methyl]-1-(4-bromophenyl)-1-methylurea

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

E567-0129

Molecular Formula

C16H14BrN3O2 (C16 H14 BrN3 O2)

Compound Name

3-[(1,2-benzoxazol-3-yl)methyl]-1-(4-bromophenyl)-1-methylurea

IUPAC name

3-[(12-benzoxazol-3-yl)methyl]-1-(4-bromophenyl)-1-methylurea

SMILES

CN(C(NCc1noc2c1cccc2)=O)c(cc1)ccc1Br

InChI

InChI=1S/C16H14BrN3O2/c1-20(12-8-6-11(17)7-9-12)16(21)18-10-14-13-4-2-3-5-15(13)22-19-14/h2-9H,10H2,1H3,(H,18,21)

InChI Key

PGBORWCDDPCIMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-4.02

Polar Surface Area

48.445

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E567-0129 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E567-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E567-0129?
Check Price and Availability of E567-0129, 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 E567-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E567-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E567-0129
  • 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 E567-0129 available by request