E017-0140 Screening compound: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

E017-0140 Screening compound: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
E017-0140 Screening compound: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E017-0140
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-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

E017-0140

Molecular Formula

C19H28N6O3S (C19 H28 N6 O3 S)

Compound Name

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

IUPAC name

1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nnc(N(CCC2)C2=O)s1)NCCCN(CCC1)C1=O

InChI

InChI=1S/C19H28N6O3S/c26-15-4-1-9-23(15)10-3-8-20-17(28)14-6-12-24(13-7-14)18-21-22-19(29-18)25-11-2-5-16(25)27/h14H,1-13H2,(H,20,28)

InChI Key

XAHQOFDBCQRYMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.095

Distribution Coefficient, logD

0.095

Water Solubility, LogSw

-1.48

Polar Surface Area

85.408

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.70

E017-0140 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E017-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E017-0140?
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What is the minimum amount of E017-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E017-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E017-0140
  • 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 E017-0140 available by request