8020-0175 Screening compound: 3-ethyl 1,2-dimethyl (1Z)-3-[(2E)-3-oxopiperazin-2-ylidene]prop-1-ene-1,2,3-tricarboxylate

8020-0175 Screening compound: 3-ethyl 1,2-dimethyl (1Z)-3-[(2E)-3-oxopiperazin-2-ylidene]prop-1-ene-1,2,3-tricarboxylate
8020-0175 Screening compound: 3-ethyl 1,2-dimethyl (1Z)-3-[(2E)-3-oxopiperazin-2-ylidene]prop-1-ene-1,2,3-tricarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0175
3-ethyl 1,2-dimethyl (1Z)-3-[(2E)-3-oxopiperazin-2-ylidene]prop-1-ene-1,2,3-tricarboxylate

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

8020-0175

Molecular Formula

C14H18N2O7 (C14 H18 N2 O7)

Compound Name

3-ethyl 1,2-dimethyl (1Z)-3-[(2E)-3-oxopiperazin-2-ylidene]prop-1-ene-1,2,3-tricarboxylate

IUPAC name

3-ethyl 12-dimethyl (1Z)-3-[(2E)-3-oxopiperazin-2-ylidene]prop-1-ene-123-tricarboxylate

SMILES

CCOC(/C(/C(/C(OC)=O)=C/C(OC)=O)=C1/NCCNC1=O)=O

InChI

InChI=1S/C14H18N2O7/c1-4-23-14(20)10(11-12(18)16-6-5-15-11)8(13(19)22-3)7-9(17)21-2/h7,15H,4-6H2,1-3H3,(H,16,18)

InChI Key

KDVFFLHOISOVLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11081650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.362

Distribution Coefficient, logD

-0.403

Water Solubility, LogSw

-0.58

Polar Surface Area

99.820

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 8020-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0175?
Check Price and Availability of 8020-0175, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0175
  • 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 8020-0175 available by request