Y010-1644 Screening compound: ethyl 2-anilino-4-oxo-5-{(Z)-1-[(2-thienylmethyl)amino]methylidene}-3(4H)-thiophenecarboxylate

Y010-1644 Screening compound: ethyl 2-anilino-4-oxo-5-{(Z)-1-[(2-thienylmethyl)amino]methylidene}-3(4H)-thiophenecarboxylate
Y010-1644 Screening compound: ethyl 2-anilino-4-oxo-5-{(Z)-1-[(2-thienylmethyl)amino]methylidene}-3(4H)-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1644
ethyl 2-anilino-4-oxo-5-{(Z)-1-[(2-thienylmethyl)amino]methylidene}-3(4H)-thiophenecarboxylate

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

Y010-1644

Molecular Formula

C19H18N2O3S2 (C19 H18 N2 O3 S2)

Compound Name

ethyl 2-anilino-4-oxo-5-{(Z)-1-[(2-thienylmethyl)amino]methylidene}-3(4H)-thiophenecarboxylate

IUPAC name

ethyl (5Z)-4-oxo-2-(phenylamino)-5-({[(thiophen-2-yl)methyl]amino}methylidene)-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc2ccccc2)S/C1=C\NCc1cccs1)=O

InChI

InChI=1S/C19H18N2O3S2/c1-2-24-19(23)16-17(22)15(12-20-11-14-9-6-10-25-14)26-18(16)21-13-7-4-3-5-8-13/h3-10,12,20-21H,2,11H2,1H3

InChI Key

PFOGHRAUQGRTLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02944253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-3.73

Polar Surface Area

56.268

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

Y010-1644 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1644?
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What is the minimum amount of Y010-1644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1644
  • 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 Y010-1644 available by request