G434-0088 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-1-[2-(trifluoromethyl)phenyl]urea

G434-0088 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-1-[2-(trifluoromethyl)phenyl]urea
G434-0088 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-1-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G434-0088
3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-1-[2-(trifluoromethyl)phenyl]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

G434-0088

Molecular Formula

C15H10F3N3O3 (C15 H10 F3 N3 O3)

Compound Name

3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-1-[2-(trifluoromethyl)phenyl]urea

IUPAC name

3-(2-oxo-23-dihydro-13-benzoxazol-6-yl)-1-[2-(trifluoromethyl)phenyl]urea

SMILES

O=C(Nc(cc1)cc(O2)c1NC2=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C15H10F3N3O3/c16-15(17,18)9-3-1-2-4-10(9)20-13(22)19-8-5-6-11-12(7-8)24-14(23)21-11/h1-7H,(H,21,23)(H2,19,20,22)

InChI Key

LGXHRSPEHUOWIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27141623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.451

Distribution Coefficient, logD

3.451

Water Solubility, LogSw

-3.94

Polar Surface Area

65.261

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

G434-0088 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G434-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G434-0088?
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What is the minimum amount of G434-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G434-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G434-0088
  • 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 G434-0088 available by request