8017-3246 Screening compound: N~1~-(4-ethoxy-2-nitrophenyl)-2-{2-[1-oxo-2(1H)-phthalazinyl]acetyl}-1-hydrazinecarbothioamide

8017-3246 Screening compound: N~1~-(4-ethoxy-2-nitrophenyl)-2-{2-[1-oxo-2(1H)-phthalazinyl]acetyl}-1-hydrazinecarbothioamide
8017-3246 Screening compound: N~1~-(4-ethoxy-2-nitrophenyl)-2-{2-[1-oxo-2(1H)-phthalazinyl]acetyl}-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3246
N~1~-(4-ethoxy-2-nitrophenyl)-2-{2-[1-oxo-2(1H)-phthalazinyl]acetyl}-1-hydrazinecarbothioamide

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

8017-3246

Molecular Formula

C19H18N6O5S (C19 H18 N6 O5 S)

Compound Name

N~1~-(4-ethoxy-2-nitrophenyl)-2-{2-[1-oxo-2(1H)-phthalazinyl]acetyl}-1-hydrazinecarbothioamide

IUPAC name

n/a

SMILES

CCOc(cc1)cc([N+]([O-])=O)c1NC(NNC(CN1N=Cc(cccc2)c2C1=O)=O)=S

InChI

InChI=1S/C19H18N6O5S/c1-2-30-13-7-8-15(16(9-13)25(28)29)21-19(31)23-22-17(26)11-24-18(27)14-6-4-3-5-12(14)10-20-24/h3-10H,2,11H2,1H3,(H,22,26)(H2,21,23,31)

InChI Key

OMXHFDJPXWMLPV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.819

Distribution Coefficient, logD

1.320

Water Solubility, LogSw

-2.97

Polar Surface Area

114.722

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 8017-3246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3246?
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What is the minimum amount of 8017-3246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3246
  • 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 8017-3246 available by request