D399-0640 Screening compound: 4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

D399-0640 Screening compound: 4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
D399-0640 Screening compound: 4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0640
4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

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

D399-0640

Molecular Formula

C16H14FN3O2S2 (C16 H14 FN3 O2 S2)

Compound Name

4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

IUPAC name

4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-213-benzothiadiazole

SMILES

O=S(c1cccc2nsnc12)(N(CCC1)C1c(cc1)ccc1F)=O

InChI

InChI=1S/C16H14FN3O2S2/c17-12-8-6-11(7-9-12)14-4-2-10-20(14)24(21,22)15-5-1-3-13-16(15)19-23-18-13/h1,3,5-9,14H,2,4,10H2/t14-/m0/s1

InChI Key

ZMNYPCICWKQLBX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10702240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

3.291

Water Solubility, LogSw

-3.51

Polar Surface Area

53.467

Acid Dissociation Constant (pKa)

23.96

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D399-0640 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D399-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0640?
Check Price and Availability of D399-0640, 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 D399-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0640
  • 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 D399-0640 available by request