D399-0239 Screening compound: 4-{[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole

D399-0239 Screening compound: 4-{[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole
D399-0239 Screening compound: 4-{[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0239
4-{[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole

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

D399-0239

Molecular Formula

C14H17N3O2S (C14 H17 N3 O2 S)

Compound Name

4-{[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole

IUPAC name

4-{[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole

SMILES

Cc1c(C(CCC2)N2S(c2c[nH]cn2)(=O)=O)cccc1

InChI

InChI=1S/C14H17N3O2S/c1-11-5-2-3-6-12(11)13-7-4-8-17(13)20(18,19)14-9-15-10-16-14/h2-3,5-6,9-10,13H,4,7-8H2,1H3,(H,15,16)/t13-/m0/s1

InChI Key

UMTSXYCYEFEWSO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27583617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.056

Water Solubility, LogSw

-2.40

Polar Surface Area

53.588

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.71

D399-0239 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with D399-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0239?
Check Price and Availability of D399-0239, 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 D399-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0239
  • 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 D399-0239 available by request