E017-0661 Screening compound: N-[(4-chlorophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

E017-0661 Screening compound: N-[(4-chlorophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
E017-0661 Screening compound: N-[(4-chlorophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E017-0661
N-[(4-chlorophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-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

E017-0661

Molecular Formula

C18H20ClN5O2S (C18 H20 ClN5 O2 S)

Compound Name

N-[(4-chlorophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]pyrrolidine-2-carboxamide

SMILES

O=C(C(CCC1)N1c1nnc(N(CCC2)C2=O)s1)NCc(cc1)ccc1Cl

InChI

InChI=1S/C18H20ClN5O2S/c19-13-7-5-12(6-8-13)11-20-16(26)14-3-1-9-23(14)17-21-22-18(27-17)24-10-2-4-15(24)25/h5-8,14H,1-4,9-11H2,(H,20,26)/t14-/m0/s1

InChI Key

VEWWLPJUCFCFQT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14839029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-3.34

Polar Surface Area

68.115

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

E017-0661 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with E017-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E017-0661?
Check Price and Availability of E017-0661, 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 E017-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E017-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E017-0661
  • 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 E017-0661 available by request