C857-2016 Screening compound: 1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(2,5-dimethylphenyl)piperazine

C857-2016 Screening compound: 1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(2,5-dimethylphenyl)piperazine
C857-2016 Screening compound: 1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(2,5-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-2016
1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(2,5-dimethylphenyl)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

C857-2016

Molecular Formula

C26H34N6OS (C26 H34 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C)n1-c1nnc(N(CC2)CCC2C(N(CC2)CCN2c2c(C)ccc(C)c2)=O)s1

InChI

InChI=1S/C26H34N6OS/c1-18-5-6-19(2)23(17-18)29-13-15-30(16-14-29)24(33)22-9-11-31(12-10-22)25-27-28-26(34-25)32-20(3)7-8-21(32)4/h5-8,17,22H,9-16H2,1-4H3

InChI Key

VAMCTZZFMHQBPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.755

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.53

Polar Surface Area

49.321

Acid Dissociation Constant (pKa)

21.67

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C857-2016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-2016?
Check Price and Availability of C857-2016, 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 C857-2016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-2016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-2016
  • 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 C857-2016 available by request