G434-0542 Screening compound: N-(3-isopropyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-N'-(3-methylphenyl)urea

G434-0542 Screening compound: N-(3-isopropyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-N'-(3-methylphenyl)urea
G434-0542 Screening compound: N-(3-isopropyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-N'-(3-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G434-0542
N-(3-isopropyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-N'-(3-methylphenyl)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

G434-0542

Molecular Formula

C18H19N3O3 (C18 H19 N3 O3)

Compound Name

N-(3-isopropyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-N'-(3-methylphenyl)urea

IUPAC name

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

SMILES

CC(C)N(c(ccc(NC(Nc1cc(C)ccc1)=O)c1)c1O1)C1=O

InChI

InChI=1S/C18H19N3O3/c1-11(2)21-15-8-7-14(10-16(15)24-18(21)23)20-17(22)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H2,19,20,22)

InChI Key

TWWTXUICGACFAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27141787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.37

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

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.40

Polar Surface Area

55.362

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

G434-0542 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G434-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G434-0542?
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What is the minimum amount of G434-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G434-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G434-0542
  • 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 G434-0542 available by request