C857-2031 Screening compound: 1'-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-1,4'-bipiperidine

C857-2031 Screening compound: 1'-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-1,4'-bipiperidine
C857-2031 Screening compound: 1'-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-2031
1'-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-1,4'-bipiperidine

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

C857-2031

Molecular Formula

C24H36N6OS (C24 H36 N6 OS)

Compound Name

1'-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-1,4'-bipiperidine

IUPAC name

1'-{1-[5-(25-dimethyl-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carbonyl}-14'-bipiperidine

SMILES

Cc1ccc(C)n1-c1nnc(N(CC2)CCC2C(N(CC2)CCC2N2CCCCC2)=O)s1

InChI

InChI=1S/C24H36N6OS/c1-18-6-7-19(2)30(18)24-26-25-23(32-24)29-14-8-20(9-15-29)22(31)28-16-10-21(11-17-28)27-12-4-3-5-13-27/h6-7,20-21H,3-5,8-17H2,1-2H3

InChI Key

CRQNULLSBDKLRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

-0.245

Water Solubility, LogSw

-3.16

Polar Surface Area

49.455

Acid Dissociation Constant (pKa)

21.67

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.80

C857-2031 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C857-2031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-2031?
Check Price and Availability of C857-2031, 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 C857-2031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-2031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-2031
  • 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 C857-2031 available by request