0934-0678 Screening compound: 2-(diethylamino)ethyl (2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate

0934-0678 Screening compound: 2-(diethylamino)ethyl (2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
0934-0678 Screening compound: 2-(diethylamino)ethyl (2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0934-0678
2-(diethylamino)ethyl (2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate

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

0934-0678

Molecular Formula

C20H21N3O5 (C20 H21 N3 O5)

Compound Name

2-(diethylamino)ethyl (2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate

IUPAC name

2-(diethylamino)ethyl (2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate

SMILES

CCN(CC)CCOC(/C(/C#N)=C\c1ccc(-c2cccc([N+]([O-])=O)c2)o1)=O

InChI

InChI=1S/C20H21N3O5/c1-3-22(4-2)10-11-27-20(24)16(14-21)13-18-8-9-19(28-18)15-6-5-7-17(12-15)23(25)26/h5-9,12-13H,3-4,10-11H2,1-2H3

InChI Key

HFTLLIBJXAPMTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

2.872

Water Solubility, LogSw

-4.06

Polar Surface Area

82.705

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

0934-0678 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCL1 Targeted Library (12200 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 0934-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0934-0678?
Check Price and Availability of 0934-0678, 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 0934-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0934-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0934-0678
  • 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 0934-0678 available by request