D399-0652 Screening compound: 2-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidine

D399-0652 Screening compound: 2-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidine
D399-0652 Screening compound: 2-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0652
2-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidine

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

D399-0652

Molecular Formula

C20H22FNO2S (C20 H22 FNO2 S)

Compound Name

2-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidine

IUPAC name

2-(4-fluorophenyl)-1-(5678-tetrahydronaphthalene-2-sulfonyl)pyrrolidine

SMILES

O=S(c1cc(CCCC2)c2cc1)(N(CCC1)C1c(cc1)ccc1F)=O

InChI

InChI=1S/C20H22FNO2S/c21-18-10-7-16(8-11-18)20-6-3-13-22(20)25(23,24)19-12-9-15-4-1-2-5-17(15)14-19/h7-12,14,20H,1-6,13H2/t20-/m0/s1

InChI Key

SQNCYLPTQYZUTC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10702584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

4.681

Water Solubility, LogSw

-4.72

Polar Surface Area

32.435

Acid Dissociation Constant (pKa)

23.96

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D399-0652 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with D399-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0652?
Check Price and Availability of D399-0652, 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 D399-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0652
  • 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 D399-0652 available by request