2000-0105 Screening compound: butyl 2-chloro-5-(5-{[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate

2000-0105 Screening compound: butyl 2-chloro-5-(5-{[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate
2000-0105 Screening compound: butyl 2-chloro-5-(5-{[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2000-0105
butyl 2-chloro-5-(5-{[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate

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

2000-0105

Molecular Formula

C19H17ClN2O4S (C19 H17 ClN2 O4 S)

Compound Name

butyl 2-chloro-5-(5-{[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

butyl 2-chloro-5-(5-{[(4Z)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCCCOC(c(cc(cc1)-c2ccc(/C=C(/C(N3)=O)\NC3=S)o2)c1Cl)=O

InChI

InChI=1S/C19H17ClN2O4S/c1-2-3-8-25-18(24)13-9-11(4-6-14(13)20)16-7-5-12(26-16)10-15-17(23)22-19(27)21-15/h4-7,9-10H,2-3,8H2,1H3,(H2,21,22,23,27)

InChI Key

HWXWNNQOYKARHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.114

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-5.45

Polar Surface Area

64.912

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 2000-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2000-0105?
Check Price and Availability of 2000-0105, 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 2000-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2000-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2000-0105
  • 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 2000-0105 available by request