G434-0659 Screening compound: 1-(4-bromo-3-methylphenyl)-3-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea

G434-0659 Screening compound: 1-(4-bromo-3-methylphenyl)-3-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea
G434-0659 Screening compound: 1-(4-bromo-3-methylphenyl)-3-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G434-0659
1-(4-bromo-3-methylphenyl)-3-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)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

G434-0659

Molecular Formula

C17H16BrN3O3 (C17 H16 BrN3 O3)

Compound Name

1-(4-bromo-3-methylphenyl)-3-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea

IUPAC name

1-(4-bromo-3-methylphenyl)-3-(3-ethyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)urea

SMILES

CCN(c(ccc(NC(Nc(cc1)cc(C)c1Br)=O)c1)c1O1)C1=O

InChI

InChI=1S/C17H16BrN3O3/c1-3-21-14-7-5-12(9-15(14)24-17(21)23)20-16(22)19-11-4-6-13(18)10(2)8-11/h4-9H,3H2,1-2H3,(H2,19,20,22)

InChI Key

XQKNWJCUDZNOEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27141842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.610

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.36

Polar Surface Area

55.366

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G434-0659 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G434-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G434-0659?
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What is the minimum amount of G434-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G434-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G434-0659
  • 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 G434-0659 available by request