E569-0009 Screening compound: 1-(2-bromo-4-methylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

E569-0009 Screening compound: 1-(2-bromo-4-methylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
E569-0009 Screening compound: 1-(2-bromo-4-methylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E569-0009
1-(2-bromo-4-methylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

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

E569-0009

Molecular Formula

C17H16BrN3O2 (C17 H16 BrN3 O2)

Compound Name

1-(2-bromo-4-methylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

IUPAC name

1-(2-bromo-4-methylphenyl)-3-[(5-methyl-12-benzoxazol-3-yl)methyl]urea

SMILES

Cc(cc1)cc2c1onc2CNC(Nc(ccc(C)c1)c1Br)=O

InChI

InChI=1S/C17H16BrN3O2/c1-10-4-6-16-12(7-10)15(21-23-16)9-19-17(22)20-14-5-3-11(2)8-13(14)18/h3-8H,9H2,1-2H3,(H2,19,20,22)

InChI Key

JVZCSZRXNRCDEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.28

Polar Surface Area

55.860

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E569-0009 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E569-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E569-0009?
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What is the minimum amount of E569-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E569-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E569-0009
  • 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 E569-0009 available by request