E002-2270 Screening compound: 1-{5-[2-(morpholine-4-carbonyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}azepane

E002-2270 Screening compound: 1-{5-[2-(morpholine-4-carbonyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}azepane
E002-2270 Screening compound: 1-{5-[2-(morpholine-4-carbonyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2270
1-{5-[2-(morpholine-4-carbonyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}azepane

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

E002-2270

Molecular Formula

C17H23N5O2S (C17 H23 N5 O2 S)

Compound Name

1-{5-[2-(morpholine-4-carbonyl)-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl}azepane

IUPAC name

1-{5-[2-(morpholine-4-carbonyl)-1H-pyrrol-1-yl]-134-thiadiazol-2-yl}azepane

SMILES

O=C(c1cccn1-c1nnc(N2CCCCCC2)s1)N1CCOCC1

InChI

InChI=1S/C17H23N5O2S/c23-15(20-10-12-24-13-11-20)14-6-5-9-22(14)17-19-18-16(25-17)21-7-3-1-2-4-8-21/h5-6,9H,1-4,7-8,10-13H2

InChI Key

PXUANKGQNIOFPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.784

Distribution Coefficient, logD

2.784

Water Solubility, LogSw

-2.87

Polar Surface Area

53.761

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

E002-2270 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E002-2270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2270?
Check Price and Availability of E002-2270, 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 E002-2270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2270
  • 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 E002-2270 available by request