E017-0659 Screening compound: N-(4-chlorophenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

E017-0659 Screening compound: N-(4-chlorophenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
E017-0659 Screening compound: N-(4-chlorophenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E017-0659
N-(4-chlorophenyl)-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

E017-0659

Molecular Formula

C17H18ClN5O2S (C17 H18 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H18ClN5O2S/c18-11-5-7-12(8-6-11)19-15(25)13-3-1-9-22(13)16-20-21-17(26-16)23-10-2-4-14(23)24/h5-8,13H,1-4,9-10H2,(H,19,25)/t13-/m0/s1

InChI Key

OGESRENQHCXJIS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD28992911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.823

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.66

Polar Surface Area

66.792

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

E017-0659 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E017-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E017-0659?
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What is the minimum amount of E017-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E017-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E017-0659
  • 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 E017-0659 available by request