C857-0268 Screening compound: 1-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

C857-0268 Screening compound: 1-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
C857-0268 Screening compound: 1-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-0268
1-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

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

C857-0268

Molecular Formula

C23H25F3N6OS (C23 H25 F3 N6 OS)

Compound Name

1-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-{1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

O=C(C(CC1)CCN1c1nnc(-n2cccc2)s1)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C23H25F3N6OS/c24-23(25,26)18-4-3-5-19(16-18)29-12-14-30(15-13-29)20(33)17-6-10-32(11-7-17)22-28-27-21(34-22)31-8-1-2-9-31/h1-5,8-9,16-17H,6-7,10-15H2

InChI Key

MHWMEEDUYDWISR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.35

Polar Surface Area

50.719

Acid Dissociation Constant (pKa)

21.67

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C857-0268 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C857-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-0268?
Check Price and Availability of C857-0268, 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 C857-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-0268
  • 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 C857-0268 available by request