D050-0108 Screening compound: 1,3-bis(1,2-benzoxazol-3-yl)urea

D050-0108 Screening compound: 1,3-bis(1,2-benzoxazol-3-yl)urea
D050-0108 Screening compound: 1,3-bis(1,2-benzoxazol-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D050-0108
1,3-bis(1,2-benzoxazol-3-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

D050-0108

Molecular Formula

C15H10N4O3 (C15 H10 N4 O3)

Compound Name

1,3-bis(1,2-benzoxazol-3-yl)urea

IUPAC name

13-bis(12-benzoxazol-3-yl)urea

SMILES

O=C(Nc1noc2c1cccc2)Nc1noc2c1cccc2

InChI

InChI=1S/C15H10N4O3/c20-15(16-13-9-5-1-3-7-11(9)21-18-13)17-14-10-6-2-4-8-12(10)22-19-14/h1-8H,(H2,16,17,18,19,20)

InChI Key

DLSKFTQTSSHYSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08684999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.800

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-4.21

Polar Surface Area

76.678

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D050-0108 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D050-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D050-0108?
Check Price and Availability of D050-0108, 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 D050-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D050-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D050-0108
  • 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 D050-0108 available by request