C857-0168 Screening compound: N-[3-(azepan-1-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C857-0168 Screening compound: N-[3-(azepan-1-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
C857-0168 Screening compound: N-[3-(azepan-1-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-0168
N-[3-(azepan-1-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-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

C857-0168

Molecular Formula

C21H32N6OS (C21 H32 N6 OS)

Compound Name

N-[3-(azepan-1-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nnc(-n2cccc2)s1)NCCCN1CCCCCC1

InChI

InChI=1S/C21H32N6OS/c28-19(22-10-7-13-25-11-3-1-2-4-12-25)18-8-16-27(17-9-18)21-24-23-20(29-21)26-14-5-6-15-26/h5-6,14-15,18H,1-4,7-13,16-17H2,(H,22,28)

InChI Key

DOANPGJSCNJDOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.951

Distribution Coefficient, logD

0.322

Water Solubility, LogSw

-2.93

Polar Surface Area

59.379

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with C857-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-0168?
Check Price and Availability of C857-0168, 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 C857-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-0168
  • 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 C857-0168 available by request