3331-2417 Screening compound: 2-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid

3331-2417 Screening compound: 2-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
3331-2417 Screening compound: 2-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-2417
2-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid

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

3331-2417

Molecular Formula

C17H17NO5S2 (C17 H17 NO5 S2)

Compound Name

2-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid

IUPAC name

2-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)N(C(/C(/S1)=C/c(cc2)ccc2C(OC)=O)=O)C1=S

InChI

InChI=1S/C17H17NO5S2/c1-9(2)13(15(20)21)18-14(19)12(25-17(18)24)8-10-4-6-11(7-5-10)16(22)23-3/h4-9,13H,1-3H3,(H,20,21)/t13-/m0/s1

InChI Key

HWEKDGAYBHWPNY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01654690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.016

Distribution Coefficient, logD

0.196

Water Solubility, LogSw

-3.20

Polar Surface Area

65.257

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

3331-2417 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3331-2417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-2417?
Check Price and Availability of 3331-2417, 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 3331-2417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-2417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-2417
  • 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 3331-2417 available by request