8001-7422 Screening compound: (Z)-N-[(E)-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}amino]-N''-nitroguanidine

8001-7422 Screening compound: (Z)-N-[(E)-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}amino]-N''-nitroguanidine
8001-7422 Screening compound: (Z)-N-[(E)-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}amino]-N''-nitroguanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-7422
(Z)-N-[(E)-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}amino]-N''-nitroguanidine

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

8001-7422

Molecular Formula

C14H14N6O5 (C14 H14 N6 O5)

Compound Name

(Z)-N-[(E)-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}amino]-N''-nitroguanidine

IUPAC name

(Z)-N-[(E)-{[5-(45-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}amino]-N''-nitroguanidine

SMILES

Cc(c(C)c1)cc(-c2ccc(/C=N/N/C(/N)=N\[N+]([O-])=O)o2)c1[N+]([O-])=O

InChI

InChI=1S/C14H14N6O5/c1-8-5-11(12(19(21)22)6-9(8)2)13-4-3-10(25-13)7-16-17-14(15)18-20(23)24/h3-7H,1-2H3,(H3,15,17,18)

InChI Key

CIWOLLSZEDFKRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.3

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.651

Distribution Coefficient, logD

0.955

Water Solubility, LogSw

-3.13

Polar Surface Area

129.249

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8001-7422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-7422?
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What is the minimum amount of 8001-7422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-7422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-7422
  • 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 8001-7422 available by request