6133-0038 Screening compound: N-(2,4-difluorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide

6133-0038 Screening compound: N-(2,4-difluorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
6133-0038 Screening compound: N-(2,4-difluorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6133-0038
N-(2,4-difluorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide

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

6133-0038

Molecular Formula

C16H16F2N4O (C16 H16 F2 N4 O)

Compound Name

N-(2,4-difluorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide

IUPAC name

N-(24-difluorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide

SMILES

O=C(Nc(ccc(F)c1)c1F)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C16H16F2N4O/c17-12-4-5-14(13(18)11-12)20-16(23)22-9-7-21(8-10-22)15-3-1-2-6-19-15/h1-6,11H,7-10H2,(H,20,23)

InChI Key

ZZRUXZJZXIMFJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03878336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.24

Polar Surface Area

36.781

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6133-0038 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6133-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6133-0038?
Check Price and Availability of 6133-0038, 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 6133-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6133-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6133-0038
  • 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 6133-0038 available by request