V026-1769 Screening compound: N-[(2Z)-3-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide

V026-1769 Screening compound: N-[(2Z)-3-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide
V026-1769 Screening compound: N-[(2Z)-3-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-1769
N-[(2Z)-3-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide

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

V026-1769

Molecular Formula

C24H28N4O3S (C24 H28 N4 O3 S)

Compound Name

N-[(2Z)-3-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]furan-2-carboxamide

IUPAC name

N-[(2Z)-3-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-45-dimethyl-23-dihydro-13-thiazol-2-ylidene]furan-2-carboxamide

SMILES

CCN(CC1)CCN1C(c1ccc(CN(C(C)=C(C)S2)/C2=N/C(c2ccco2)=O)cc1)=O

InChI

InChI=1S/C24H28N4O3S/c1-4-26-11-13-27(14-12-26)23(30)20-9-7-19(8-10-20)16-28-17(2)18(3)32-24(28)25-22(29)21-6-5-15-31-21/h5-10,15H,4,11-14,16H2,1-3H3

InChI Key

BUFGVVYQOMHDSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792139

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-2.52

Polar Surface Area

54.523

Acid Dissociation Constant (pKa)

28.84

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V026-1769 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 V026-1769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-1769?
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What is the minimum amount of V026-1769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-1769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-1769
  • 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 V026-1769 available by request