D216-2035 Screening compound: 4-(azepan-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide

D216-2035 Screening compound: 4-(azepan-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
D216-2035 Screening compound: 4-(azepan-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-2035
4-(azepan-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide

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

D216-2035

Molecular Formula

C13H17F3N4O2S (C13 H17 F3 N4 O2 S)

Compound Name

4-(azepan-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide

IUPAC name

4-(azepan-1-yl)-4-oxo-N-[5-(trifluoromethyl)-134-thiadiazol-2-yl]butanamide

SMILES

O=C(CCC(N1CCCCCC1)=O)Nc1nnc(C(F)(F)F)s1

InChI

InChI=1S/C13H17F3N4O2S/c14-13(15,16)11-18-19-12(23-11)17-9(21)5-6-10(22)20-7-3-1-2-4-8-20/h1-8H2,(H,17,19,21)

InChI Key

NLDAVKXPWDGZDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04158067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

0.000

Water Solubility, LogSw

-2.52

Polar Surface Area

63.385

Acid Dissociation Constant (pKa)

5.38

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

D216-2035 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D216-2035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-2035?
Check Price and Availability of D216-2035, 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 D216-2035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-2035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-2035
  • 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 D216-2035 available by request