D399-0575 Screening compound: 4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole

D399-0575 Screening compound: 4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole
D399-0575 Screening compound: 4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0575
4-{[2-(3-fluorophenyl)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

D399-0575

Molecular Formula

C13H14FN3O2S (C13 H14 FN3 O2 S)

Compound Name

4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole

IUPAC name

4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-1H-imidazole

SMILES

O=S(c1c[nH]cn1)(N(CCC1)C1c1cc(F)ccc1)=O

InChI

InChI=1S/C13H14FN3O2S/c14-11-4-1-3-10(7-11)12-5-2-6-17(12)20(18,19)13-8-15-9-16-13/h1,3-4,7-9,12H,2,5-6H2,(H,15,16)/t12-/m0/s1

InChI Key

RYGQYUBMKKKXQK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD10702814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

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

1.690

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-2.39

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

30.77

D399-0575 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 D399-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0575?
Check Price and Availability of D399-0575, 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 D399-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0575
  • 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 D399-0575 available by request