8006-3115 Screening compound: (2E)-4-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-4-oxo-2-butenoic acid

8006-3115 Screening compound: (2E)-4-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-4-oxo-2-butenoic acid
8006-3115 Screening compound: (2E)-4-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-4-oxo-2-butenoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3115
(2E)-4-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-4-oxo-2-butenoic acid

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

8006-3115

Molecular Formula

C11H10N2O3S (C11 H10 N2 O3 S)

Compound Name

(2E)-4-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-4-oxo-2-butenoic acid

IUPAC name

n/a

SMILES

Cc1c(C)sc(NC(/C=C/C(O)=O)=O)c1C#N

InChI

InChI=1S/C11H10N2O3S/c1-6-7(2)17-11(8(6)5-12)13-9(14)3-4-10(15)16/h3-4H,1-2H3,(H,13,14)(H,15,16)

InChI Key

XPBVVJQMUUACRY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.840

Distribution Coefficient, logD

-2.618

Water Solubility, LogSw

-2.42

Polar Surface Area

68.622

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with 8006-3115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3115?
Check Price and Availability of 8006-3115, 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 8006-3115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3115
  • 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 8006-3115 available by request