V017-1267 Screening compound: (5E)-5-[(2,3-dihydroxyphenyl)methylidene]-3-(4-methoxy-2-nitrophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one

V017-1267 Screening compound: (5E)-5-[(2,3-dihydroxyphenyl)methylidene]-3-(4-methoxy-2-nitrophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
V017-1267 Screening compound: (5E)-5-[(2,3-dihydroxyphenyl)methylidene]-3-(4-methoxy-2-nitrophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-1267
(5E)-5-[(2,3-dihydroxyphenyl)methylidene]-3-(4-methoxy-2-nitrophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one

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

V017-1267

Molecular Formula

C18H15N3O6S (C18 H15 N3 O6 S)

Compound Name

(5E)-5-[(2,3-dihydroxyphenyl)methylidene]-3-(4-methoxy-2-nitrophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5E)-5-[(23-dihydroxyphenyl)methylidene]-3-(4-methoxy-2-nitrophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one

SMILES

CN(/C(/C(N1c(ccc(OC)c2)c2[N+]([O-])=O)=O)=C/c(cccc2O)c2O)C1=S

InChI

InChI=1S/C18H15N3O6S/c1-19-14(8-10-4-3-5-15(22)16(10)23)17(24)20(18(19)28)12-7-6-11(27-2)9-13(12)21(25)26/h3-9,22-23H,1-2H3

InChI Key

KPQCLTGASNYBPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964872

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.693

Distribution Coefficient, logD

2.679

Water Solubility, LogSw

-2.96

Polar Surface Area

89.652

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

V017-1267 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-1267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-1267?
Check Price and Availability of V017-1267, 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 V017-1267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-1267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-1267
  • 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 V017-1267 available by request