V003-6008 Screening compound: ethyl 2-[(E)-2-butenoylamino]-5-[(1S)-1,5-dimethyl-4-hexenyl]-3-thiophenecarboxylate

V003-6008 Screening compound: ethyl 2-[(E)-2-butenoylamino]-5-[(1S)-1,5-dimethyl-4-hexenyl]-3-thiophenecarboxylate
V003-6008 Screening compound: ethyl 2-[(E)-2-butenoylamino]-5-[(1S)-1,5-dimethyl-4-hexenyl]-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6008
ethyl 2-[(E)-2-butenoylamino]-5-[(1S)-1,5-dimethyl-4-hexenyl]-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

V003-6008

Molecular Formula

C19H27NO3S (C19 H27 NO3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H27NO3S/c1-6-9-17(21)20-18-15(19(22)23-7-2)12-16(24-18)14(5)11-8-10-13(3)4/h6,9-10,12,14H,7-8,11H2,1-5H3,(H,20,21)/t14-/m0/s1

InChI Key

VTLIZHBFFAEZJT-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.593

Distribution Coefficient, logD

2.943

Water Solubility, LogSw

-5.37

Polar Surface Area

43.936

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

V003-6008 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V003-6008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6008?
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What is the minimum amount of V003-6008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6008
  • 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 V003-6008 available by request