F540-0168 Screening compound: 2-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)pyrimidine

F540-0168 Screening compound: 2-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)pyrimidine
F540-0168 Screening compound: 2-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F540-0168
2-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)pyrimidine

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

F540-0168

Molecular Formula

C17H21N5O3S2 (C17 H21 N5 O3 S2)

Compound Name

2-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)pyrimidine

IUPAC name

2-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)pyrimidine

SMILES

O=C(c1csc(S(N(CC2)CCN2c2ncccn2)(=O)=O)c1)N1CCCC1

InChI

InChI=1S/C17H21N5O3S2/c23-16(20-6-1-2-7-20)14-12-15(26-13-14)27(24,25)22-10-8-21(9-11-22)17-18-4-3-5-19-17/h3-5,12-13H,1-2,6-11H2

InChI Key

NZSSLJVDJQYQFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.741

Distribution Coefficient, logD

1.741

Water Solubility, LogSw

-2.15

Polar Surface Area

71.605

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

F540-0168 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F540-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F540-0168?
Check Price and Availability of F540-0168, 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 F540-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F540-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F540-0168
  • 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 F540-0168 available by request