4872-0268 Screening compound: N-(4-ethoxyphenyl)-2-nitro-2-[(2Z)-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetamide

4872-0268 Screening compound: N-(4-ethoxyphenyl)-2-nitro-2-[(2Z)-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetamide
4872-0268 Screening compound: N-(4-ethoxyphenyl)-2-nitro-2-[(2Z)-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0268
N-(4-ethoxyphenyl)-2-nitro-2-[(2Z)-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetamide

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

4872-0268

Molecular Formula

C17H15N5O6 (C17 H15 N5 O6)

Compound Name

N-(4-ethoxyphenyl)-2-nitro-2-[(2Z)-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]acetamide

IUPAC name

N-(4-ethoxyphenyl)-2-nitro-2-[(2Z)-5-nitro-23-dihydro-1H-13-benzodiazol-2-ylidene]acetamide

SMILES

CCOc(cc1)ccc1NC(/C(/[N+]([O-])=O)=C1/Nc(cc(cc2)[N+]([O-])=O)c2N1)=O

InChI

InChI=1S/C17H15N5O6/c1-2-28-12-6-3-10(4-7-12)18-17(23)15(22(26)27)16-19-13-8-5-11(21(24)25)9-14(13)20-16/h3-9,19-20H,2H2,1H3,(H,18,23)

InChI Key

AGMGGOZFNHXNBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.280

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.60

Polar Surface Area

118.712

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 4872-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0268?
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What is the minimum amount of 4872-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0268
  • 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 4872-0268 available by request