D491-2955 Screening compound: N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

D491-2955 Screening compound: N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
D491-2955 Screening compound: N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-2955
N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-methyl-1,2,3-thiadiazole-5-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

D491-2955

Molecular Formula

C16H19ClN4OS (C16 H19 ClN4 OS)

Compound Name

N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

IUPAC name

N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-methyl-123-thiadiazole-5-carboxamide

SMILES

Cc1c(C(NCC(c(cccc2)c2Cl)N2CCCC2)=O)snn1

InChI

InChI=1S/C16H19ClN4OS/c1-11-15(23-20-19-11)16(22)18-10-14(21-8-4-5-9-21)12-6-2-3-7-13(12)17/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,18,22)/t14-/m0/s1

InChI Key

ZMPHZERLYFJJKN-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD18077478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.577

Distribution Coefficient, logD

2.264

Water Solubility, LogSw

-3.22

Polar Surface Area

50.450

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

D491-2955 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D491-2955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-2955?
Check Price and Availability of D491-2955, 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 D491-2955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-2955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-2955
  • 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 D491-2955 available by request