V028-5841 Screening compound: (5E)-3-(butan-2-yl)-1-methyl-5-[(4-methyl-1H-imidazol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

V028-5841 Screening compound: (5E)-3-(butan-2-yl)-1-methyl-5-[(4-methyl-1H-imidazol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
V028-5841 Screening compound: (5E)-3-(butan-2-yl)-1-methyl-5-[(4-methyl-1H-imidazol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5841
(5E)-3-(butan-2-yl)-1-methyl-5-[(4-methyl-1H-imidazol-5-yl)methylidene]-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

V028-5841

Molecular Formula

C13H18N4OS (C13 H18 N4 OS)

Compound Name

(5E)-3-(butan-2-yl)-1-methyl-5-[(4-methyl-1H-imidazol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5E)-3-(butan-2-yl)-1-methyl-5-[(4-methyl-1H-imidazol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

SMILES

CCC(C)N(C(/C(/N1C)=C\c2c(C)nc[nH]2)=O)C1=S

InChI

InChI=1S/C13H18N4OS/c1-5-8(2)17-12(18)11(16(4)13(17)19)6-10-9(3)14-7-15-10/h6-8H,5H2,1-4H3,(H,14,15)/t8-/m0/s1

InChI Key

IWKFGHKPLZDCHI-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD19964831

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

278.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.422

Distribution Coefficient, logD

1.422

Water Solubility, LogSw

-2.16

Polar Surface Area

40.161

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V028-5841 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-5841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5841?
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What is the minimum amount of V028-5841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5841
  • 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 V028-5841 available by request