8008-9113 Screening compound: 3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]-1-phenylurea

8008-9113 Screening compound: 3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]-1-phenylurea
8008-9113 Screening compound: 3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9113
3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]-1-phenylurea

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

8008-9113

Molecular Formula

C14H11N5O6 (C14 H11 N5 O6)

Compound Name

3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]-1-phenylurea

IUPAC name

3-[(E)-[(2-hydroxy-35-dinitrophenyl)methylidene]amino]-1-phenylurea

SMILES

[O-][N+](c(cc1/C=N/NC(Nc2ccccc2)=O)cc([N+]([O-])=O)c1O)=O

InChI

InChI=1S/C14H11N5O6/c20-13-9(6-11(18(22)23)7-12(13)19(24)25)8-15-17-14(21)16-10-4-2-1-3-5-10/h1-8,20H,(H2,16,17,21)

InChI Key

VDTWMPQDRXLFCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00815621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.27

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

-0.080

Water Solubility, LogSw

-3.65

Polar Surface Area

126.707

Acid Dissociation Constant (pKa)

3.98

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8008-9113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9113?
Check Price and Availability of 8008-9113, 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 8008-9113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9113
  • 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 8008-9113 available by request