V030-9429 Screening compound: ethyl 5-(4,4-dimethylpentan-2-yl)-2-(2-methoxyacetamido)thiophene-3-carboxylate

V030-9429 Screening compound: ethyl 5-(4,4-dimethylpentan-2-yl)-2-(2-methoxyacetamido)thiophene-3-carboxylate
V030-9429 Screening compound: ethyl 5-(4,4-dimethylpentan-2-yl)-2-(2-methoxyacetamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9429
ethyl 5-(4,4-dimethylpentan-2-yl)-2-(2-methoxyacetamido)thiophene-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

V030-9429

Molecular Formula

C17H27NO4S (C17 H27 NO4 S)

Compound Name

ethyl 5-(4,4-dimethylpentan-2-yl)-2-(2-methoxyacetamido)thiophene-3-carboxylate

IUPAC name

ethyl 5-(44-dimethylpentan-2-yl)-2-(2-methoxyacetamido)thiophene-3-carboxylate

SMILES

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

InChI

InChI=1S/C17H27NO4S/c1-7-22-16(20)12-8-13(11(2)9-17(3,4)5)23-15(12)18-14(19)10-21-6/h8,11H,7,9-10H2,1-6H3,(H,18,19)/t11-/m0/s1

InChI Key

LBBCNHQZWXTPRA-NSHDSACASA-N

MDL Number (MFCD)

MFCD19956975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-4.19

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

64.70

V030-9429 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 V030-9429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9429?
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What is the minimum amount of V030-9429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9429
  • 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 V030-9429 available by request