2279-0539 Screening compound: ethyl 5-acetyl-2-({N'-[(E)-[4-(diethylamino)phenyl]methylidene]hydrazinecarbonyl}amino)-4-methylthiophene-3-carboxylate

2279-0539 Screening compound: ethyl 5-acetyl-2-({N'-[(E)-[4-(diethylamino)phenyl]methylidene]hydrazinecarbonyl}amino)-4-methylthiophene-3-carboxylate
2279-0539 Screening compound: ethyl 5-acetyl-2-({N'-[(E)-[4-(diethylamino)phenyl]methylidene]hydrazinecarbonyl}amino)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-0539
ethyl 5-acetyl-2-({N'-[(E)-[4-(diethylamino)phenyl]methylidene]hydrazinecarbonyl}amino)-4-methylthiophene-3-carboxylate

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

2279-0539

Molecular Formula

C22H28N4O4S (C22 H28 N4 O4 S)

Compound Name

ethyl 5-acetyl-2-({N'-[(E)-[4-(diethylamino)phenyl]methylidene]hydrazinecarbonyl}amino)-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-acetyl-2-({N'-[(E)-[4-(diethylamino)phenyl]methylidene]hydrazinecarbonyl}amino)-4-methylthiophene-3-carboxylate

SMILES

CCN(CC)c1ccc(/C=N/NC(Nc2c(C(OCC)=O)c(C)c(C(C)=O)s2)=O)cc1

InChI

InChI=1S/C22H28N4O4S/c1-6-26(7-2)17-11-9-16(10-12-17)13-23-25-22(29)24-20-18(21(28)30-8-3)14(4)19(31-20)15(5)27/h9-13H,6-8H2,1-5H3,(H2,24,25,29)

InChI Key

BXNNDZYNFLYLHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01462762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.083

Distribution Coefficient, logD

2.154

Water Solubility, LogSw

-4.16

Polar Surface Area

81.877

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

2279-0539 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 2279-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-0539?
Check Price and Availability of 2279-0539, 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 2279-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-0539
  • 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 2279-0539 available by request