V014-0273 Screening compound: ethyl 1-(5-{[(2Z)-2-[(furan-2-carbonyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]methyl}furan-2-carbonyl)piperidine-4-carboxylate

V014-0273 Screening compound: ethyl 1-(5-{[(2Z)-2-[(furan-2-carbonyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]methyl}furan-2-carbonyl)piperidine-4-carboxylate
V014-0273 Screening compound: ethyl 1-(5-{[(2Z)-2-[(furan-2-carbonyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]methyl}furan-2-carbonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0273
ethyl 1-(5-{[(2Z)-2-[(furan-2-carbonyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]methyl}furan-2-carbonyl)piperidine-4-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

V014-0273

Molecular Formula

C26H25N3O6S (C26 H25 N3 O6 S)

Compound Name

ethyl 1-(5-{[(2Z)-2-[(furan-2-carbonyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]methyl}furan-2-carbonyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(5-{[(2Z)-2-[(furan-2-carbonyl)imino]-23-dihydro-13-benzothiazol-3-yl]methyl}furan-2-carbonyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1ccc(CN(c(cccc2)c2S2)/C2=N/C(c2ccco2)=O)o1)=O)=O

InChI

InChI=1S/C26H25N3O6S/c1-2-33-25(32)17-11-13-28(14-12-17)24(31)21-10-9-18(35-21)16-29-19-6-3-4-8-22(19)36-26(29)27-23(30)20-7-5-15-34-20/h3-10,15,17H,2,11-14,16H2,1H3

InChI Key

PKIFNVZVCQOMTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19797056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-3.55

Polar Surface Area

79.080

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V014-0273 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V014-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0273?
Check Price and Availability of V014-0273, 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 V014-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0273
  • 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 V014-0273 available by request