0512-0046 Screening compound: 1,3-diethyl 2-[(phenylamino)methylidene]propanedioate

0512-0046 Screening compound: 1,3-diethyl 2-[(phenylamino)methylidene]propanedioate
0512-0046 Screening compound: 1,3-diethyl 2-[(phenylamino)methylidene]propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0512-0046
1,3-diethyl 2-[(phenylamino)methylidene]propanedioate

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

0512-0046

Molecular Formula

C14H17NO4 (C14 H17 NO4)

Compound Name

1,3-diethyl 2-[(phenylamino)methylidene]propanedioate

IUPAC name

13-diethyl 2-[(phenylamino)methylidene]propanedioate

SMILES

CCOC(C(C(OCC)=O)=CNc1ccccc1)=O

InChI

InChI=1S/C14H17NO4/c1-3-18-13(16)12(14(17)19-4-2)10-15-11-8-6-5-7-9-11/h5-10,15H,3-4H2,1-2H3

InChI Key

PYPCDUKQEIPHAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00173404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.583

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-2.70

Polar Surface Area

53.347

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

0512-0046 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0512-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0512-0046?
Check Price and Availability of 0512-0046, 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 0512-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0512-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0512-0046
  • 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 0512-0046 available by request