2082-0566 Screening compound: 3-[(E)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]-1-[(Z)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]urea

2082-0566 Screening compound: 3-[(E)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]-1-[(Z)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]urea
2082-0566 Screening compound: 3-[(E)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]-1-[(Z)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 2082-0566
3-[(E)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]-1-[(Z)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]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

2082-0566

Molecular Formula

C17H16N6O9 (C17 H16 N6 O9)

Compound Name

3-[(E)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]-1-[(Z)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]urea

IUPAC name

3-[(E)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]-1-[(Z)-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]urea

SMILES

COc(cc(/C=N/NC(N/N=C\c(cc1OC)cc([N+]([O-])=O)c1O)=O)cc1[N+]([O-])=O)c1O

InChI

InChI=1S/C17H16N6O9/c1-31-13-5-9(3-11(15(13)24)22(27)28)7-18-20-17(26)21-19-8-10-4-12(23(29)30)16(25)14(6-10)32-2/h3-8,24-25H,1-2H3,(H2,20,21,26)

InChI Key

PHFZLIMQOPKLDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01157483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.35

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

2.634

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-2.82

Polar Surface Area

169.371

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 2082-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2082-0566?
Check Price and Availability of 2082-0566, 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 2082-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2082-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2082-0566
  • 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 2082-0566 available by request