V002-4914 Screening compound: ethyl 5-(4,4-dimethylpentan-2-yl)-2-(3-methoxy-3-oxopropanamido)thiophene-3-carboxylate

V002-4914 Screening compound: ethyl 5-(4,4-dimethylpentan-2-yl)-2-(3-methoxy-3-oxopropanamido)thiophene-3-carboxylate
V002-4914 Screening compound: ethyl 5-(4,4-dimethylpentan-2-yl)-2-(3-methoxy-3-oxopropanamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4914
ethyl 5-(4,4-dimethylpentan-2-yl)-2-(3-methoxy-3-oxopropanamido)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

V002-4914

Molecular Formula

C18H27NO5S (C18 H27 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H27NO5S/c1-7-24-17(22)12-8-13(11(2)10-18(3,4)5)25-16(12)19-14(20)9-15(21)23-6/h8,11H,7,9-10H2,1-6H3,(H,19,20)/t11-/m0/s1

InChI Key

XZXSIYIUNJKYDS-NSHDSACASA-N

MDL Number (MFCD)

MFCD19957016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-3.98

Polar Surface Area

64.515

Acid Dissociation Constant (pKa)

6.19

Base Dissociation Constant (pKb)

-6.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

V002-4914 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 V002-4914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4914?
Check Price and Availability of V002-4914, 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 V002-4914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4914
  • 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 V002-4914 available by request