F638-0561 Screening compound: 2-(4-{[1,2-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperazin-1-yl)pyrimidine

F638-0561 Screening compound: 2-(4-{[1,2-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperazin-1-yl)pyrimidine
F638-0561 Screening compound: 2-(4-{[1,2-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F638-0561
2-(4-{[1,2-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-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

F638-0561

Molecular Formula

C20H28N6O3S (C20 H28 N6 O3 S)

Compound Name

2-(4-{[1,2-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperazin-1-yl)pyrimidine

IUPAC name

2-(4-{[12-dimethyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperazin-1-yl)pyrimidine

SMILES

Cc(n(C)c(C(N1CCCCC1)=O)c1)c1S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C20H28N6O3S/c1-16-18(15-17(23(16)2)19(27)24-9-4-3-5-10-24)30(28,29)26-13-11-25(12-14-26)20-21-7-6-8-22-20/h6-8,15H,3-5,9-14H2,1-2H3

InChI Key

XNPNHEWNMHPIOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27181059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.632

Distribution Coefficient, logD

1.632

Water Solubility, LogSw

-2.13

Polar Surface Area

72.253

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

F638-0561 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F638-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F638-0561?
Check Price and Availability of F638-0561, 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 F638-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F638-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F638-0561
  • 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 F638-0561 available by request