0173-S028 Screening compound: 1,3-bis(3-nitrophenyl)urea

0173-S028 Screening compound: 1,3-bis(3-nitrophenyl)urea
0173-S028 Screening compound: 1,3-bis(3-nitrophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0173-S028
1,3-bis(3-nitrophenyl)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

0173-S028

Molecular Formula

C13H10N4O5 (C13 H10 N4 O5)

Compound Name

1,3-bis(3-nitrophenyl)urea

IUPAC name

13-bis(3-nitrophenyl)urea

SMILES

[O-][N+](c1cccc(NC(Nc2cccc([N+]([O-])=O)c2)=O)c1)=O

InChI

InChI=1S/C13H10N4O5/c18-13(14-9-3-1-5-11(7-9)16(19)20)15-10-4-2-6-12(8-10)17(21)22/h1-8H,(H2,14,15,18)

InChI Key

LMGCNSZBVIPYHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00550130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.25

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-4.06

Polar Surface Area

99.304

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0173-S028 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0173-S028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0173-S028?
Check Price and Availability of 0173-S028, 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 0173-S028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0173-S028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0173-S028
  • 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 0173-S028 available by request