V013-5318 Screening compound: ethyl 5-[(1S)-1,5-dimethyl-4-hexenyl]-2-[(2-methoxyacetyl)amino]-3-thiophenecarboxylate

V013-5318 Screening compound: ethyl 5-[(1S)-1,5-dimethyl-4-hexenyl]-2-[(2-methoxyacetyl)amino]-3-thiophenecarboxylate
V013-5318 Screening compound: ethyl 5-[(1S)-1,5-dimethyl-4-hexenyl]-2-[(2-methoxyacetyl)amino]-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5318
ethyl 5-[(1S)-1,5-dimethyl-4-hexenyl]-2-[(2-methoxyacetyl)amino]-3-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

V013-5318

Molecular Formula

C18H27NO4S (C18 H27 NO4 S)

Compound Name

ethyl 5-[(1S)-1,5-dimethyl-4-hexenyl]-2-[(2-methoxyacetyl)amino]-3-thiophenecarboxylate

IUPAC name

ethyl 2-(2-methoxyacetamido)-5-[(2S)-6-methylhept-5-en-2-yl]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COC)=O)sc(C(C)CCC=C(C)C)c1)=O

InChI

InChI=1S/C18H27NO4S/c1-6-23-18(21)14-10-15(13(4)9-7-8-12(2)3)24-17(14)19-16(20)11-22-5/h8,10,13H,6-7,9,11H2,1-5H3,(H,19,20)/t13-/m0/s1

InChI Key

ZGTAAUKHSLNXPU-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.463

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-4.29

Polar Surface Area

52.360

Acid Dissociation Constant (pKa)

6.41

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

V013-5318 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V013-5318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5318?
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What is the minimum amount of V013-5318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5318
  • 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 V013-5318 available by request