6995-0183 Screening compound: 2-[(4-hydroxy-6-propyl-2-pyrimidinyl)sulfanyl]-1-{3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}-1-ethanone

6995-0183 Screening compound: 2-[(4-hydroxy-6-propyl-2-pyrimidinyl)sulfanyl]-1-{3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}-1-ethanone
6995-0183 Screening compound: 2-[(4-hydroxy-6-propyl-2-pyrimidinyl)sulfanyl]-1-{3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6995-0183
2-[(4-hydroxy-6-propyl-2-pyrimidinyl)sulfanyl]-1-{3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}-1-ethanone

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

6995-0183

Molecular Formula

C19H24N4O4S2 (C19 H24 N4 O4 S2)

Compound Name

2-[(4-hydroxy-6-propyl-2-pyrimidinyl)sulfanyl]-1-{3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}-1-ethanone

IUPAC name

n/a

SMILES

CCCc1nc(SCC(N(CC2)CN2S(c2ccc(C)cc2)(=O)=O)=O)nc(O)c1

InChI

InChI=1S/C19H24N4O4S2/c1-3-4-15-11-17(24)21-19(20-15)28-12-18(25)22-9-10-23(13-22)29(26,27)16-7-5-14(2)6-8-16/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,20,21,24)

InChI Key

XBIMBKBUEDOMLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04059541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.21

Polar Surface Area

84.031

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

6995-0183 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6995-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6995-0183?
Check Price and Availability of 6995-0183, 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 6995-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6995-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6995-0183
  • 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 6995-0183 available by request