8016-8779 Screening compound: 3,5-dimethoxy-N'~1~-[1-(4-methoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]benzohydrazide

8016-8779 Screening compound: 3,5-dimethoxy-N'~1~-[1-(4-methoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]benzohydrazide
8016-8779 Screening compound: 3,5-dimethoxy-N'~1~-[1-(4-methoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8779
3,5-dimethoxy-N'~1~-[1-(4-methoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]benzohydrazide

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

8016-8779

Molecular Formula

C20H21N3O6 (C20 H21 N3 O6)

Compound Name

3,5-dimethoxy-N'~1~-[1-(4-methoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]benzohydrazide

IUPAC name

n/a

SMILES

COc(cc1)ccc1N(C(CC1NNC(c2cc(OC)cc(OC)c2)=O)=O)C1=O

InChI

InChI=1S/C20H21N3O6/c1-27-14-6-4-13(5-7-14)23-18(24)11-17(20(23)26)21-22-19(25)12-8-15(28-2)10-16(9-12)29-3/h4-10,17,21H,11H2,1-3H3,(H,22,25)/t17-/m0/s1

InChI Key

JBLMSMDLKCPBDG-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.988

Distribution Coefficient, logD

0.988

Water Solubility, LogSw

-2.12

Polar Surface Area

90.323

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8016-8779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8779?
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What is the minimum amount of 8016-8779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8779
  • 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 8016-8779 available by request