8016-2935 Screening compound: N~2~-(5-ethyl-1,3,4-thiadiazol-2-yl)-N~1~-phenyl-1,2-pyrrolidinedicarboxamide

8016-2935 Screening compound: N~2~-(5-ethyl-1,3,4-thiadiazol-2-yl)-N~1~-phenyl-1,2-pyrrolidinedicarboxamide
8016-2935 Screening compound: N~2~-(5-ethyl-1,3,4-thiadiazol-2-yl)-N~1~-phenyl-1,2-pyrrolidinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2935
N~2~-(5-ethyl-1,3,4-thiadiazol-2-yl)-N~1~-phenyl-1,2-pyrrolidinedicarboxamide

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

8016-2935

Molecular Formula

C16H19N5O2S (C16 H19 N5 O2 S)

Compound Name

N~2~-(5-ethyl-1,3,4-thiadiazol-2-yl)-N~1~-phenyl-1,2-pyrrolidinedicarboxamide

IUPAC name

N2-(5-ethyl-134-thiadiazol-2-yl)-N1-phenylpyrrolidine-12-dicarboxamide

SMILES

CCc1nnc(NC(C(CCC2)N2C(Nc2ccccc2)=O)=O)s1

InChI

InChI=1S/C16H19N5O2S/c1-2-13-19-20-15(24-13)18-14(22)12-9-6-10-21(12)16(23)17-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,17,23)(H,18,20,22)/t12-/m0/s1

InChI Key

GWCWRGACWBCTBK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05855292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.43

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

2.358

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-2.80

Polar Surface Area

72.899

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8016-2935 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8016-2935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2935?
Check Price and Availability of 8016-2935, 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 8016-2935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2935
  • 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 8016-2935 available by request