8013-0930F Screening compound: 1-[(2Z,3Z)-3-(3,3-dimethyl-2-oxobutylidene)piperazin-2-ylidene]-3,3-dimethylbutan-2-one

8013-0930F Screening compound: 1-[(2Z,3Z)-3-(3,3-dimethyl-2-oxobutylidene)piperazin-2-ylidene]-3,3-dimethylbutan-2-one
8013-0930F Screening compound: 1-[(2Z,3Z)-3-(3,3-dimethyl-2-oxobutylidene)piperazin-2-ylidene]-3,3-dimethylbutan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0930F
1-[(2Z,3Z)-3-(3,3-dimethyl-2-oxobutylidene)piperazin-2-ylidene]-3,3-dimethylbutan-2-one

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

8013-0930F

Molecular Formula

C16H26N2O2 (C16 H26 N2 O2)

Compound Name

1-[(2Z,3Z)-3-(3,3-dimethyl-2-oxobutylidene)piperazin-2-ylidene]-3,3-dimethylbutan-2-one

IUPAC name

1-[(2Z3Z)-3-(33-dimethyl-2-oxobutylidene)piperazin-2-ylidene]-33-dimethylbutan-2-one

SMILES

CC(C)(C)C(/C=C1\NCCN/C1=C\C(C(C)(C)C)=O)=O

InChI

InChI=1S/C16H26N2O2/c1-15(2,3)13(19)9-11-12(18-8-7-17-11)10-14(20)16(4,5)6/h9-10,17-18H,7-8H2,1-6H3

InChI Key

BPCHZBRAPCMQSF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.741

Distribution Coefficient, logD

2.735

Water Solubility, LogSw

-2.86

Polar Surface Area

49.689

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with 8013-0930F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0930F?
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What is the minimum amount of 8013-0930F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0930F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0930F
  • 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 8013-0930F available by request