D216-0619 Screening compound: N4-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-N1-cyclohexylpiperidine-1,4-dicarboxamide

D216-0619 Screening compound: N4-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-N1-cyclohexylpiperidine-1,4-dicarboxamide
D216-0619 Screening compound: N4-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-N1-cyclohexylpiperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0619
N4-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-N1-cyclohexylpiperidine-1,4-dicarboxamide

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

D216-0619

Molecular Formula

C25H37N5O2S (C25 H37 N5 O2 S)

Compound Name

N4-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-N1-cyclohexylpiperidine-1,4-dicarboxamide

IUPAC name

N1-cyclohexyl-N4-{5-[(3R5S7s)-adamantan-1-yl]-134-thiadiazol-2-yl}piperidine-14-dicarboxamide

SMILES

O=C(C(CC1)CCN1C(NC1CCCCC1)=O)Nc1nnc(C2(C[C@H](C3)C4)C[C@H]4C[C@H]3C2)s1

InChI

InChI=1S/C25H37N5O2S/c31-21(19-6-8-30(9-7-19)24(32)26-20-4-2-1-3-5-20)27-23-29-28-22(33-23)25-13-16-10-17(14-25)12-18(11-16)15-25/h16-20H,1-15H2,(H,26,32)(H,27,29,31)

InChI Key

YELPTXQYAILRNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.585

Distribution Coefficient, logD

5.393

Water Solubility, LogSw

-5.43

Polar Surface Area

73.153

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

84.00

D216-0619 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D216-0619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0619?
Check Price and Availability of D216-0619, 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 D216-0619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0619
  • 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 D216-0619 available by request