8008-2996 Screening compound: N'-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-2-(2-methyl-1,3-dioxan-2-yl)acetohydrazide

8008-2996 Screening compound: N'-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-2-(2-methyl-1,3-dioxan-2-yl)acetohydrazide
8008-2996 Screening compound: N'-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-2-(2-methyl-1,3-dioxan-2-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2996
N'-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-2-(2-methyl-1,3-dioxan-2-yl)acetohydrazide

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

8008-2996

Molecular Formula

C18H18ClN3O6 (C18 H18 ClN3 O6)

Compound Name

N'-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-2-(2-methyl-1,3-dioxan-2-yl)acetohydrazide

IUPAC name

N'-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-2-(2-methyl-13-dioxan-2-yl)acetohydrazide

SMILES

CC1(CC(N/N=C/c2ccc(-c(cc(cc3)[N+]([O-])=O)c3Cl)o2)=O)OCCCO1

InChI

InChI=1S/C18H18ClN3O6/c1-18(26-7-2-8-27-18)10-17(23)21-20-11-13-4-6-16(28-13)14-9-12(22(24)25)3-5-15(14)19/h3-6,9,11H,2,7-8,10H2,1H3,(H,21,23)

InChI Key

JKDUDDYENCMRRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01155679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.81

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-4.30

Polar Surface Area

92.059

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8008-2996 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 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 8008-2996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2996?
Check Price and Availability of 8008-2996, 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 8008-2996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2996
  • 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 8008-2996 available by request