S932-4506 Screening compound: 2-({1-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}methoxy)pyrazine

S932-4506 Screening compound: 2-({1-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}methoxy)pyrazine
S932-4506 Screening compound: 2-({1-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}methoxy)pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-4506
2-({1-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}methoxy)pyrazine

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

S932-4506

Molecular Formula

C17H20N6O2 (C17 H20 N6 O2)

Compound Name

2-({1-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}methoxy)pyrazine

IUPAC name

2-({1-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-1H-123-triazol-4-yl}methoxy)pyrazine

SMILES

O=C(C1CC=CC1)N(CC1)CC1n1nnc(COc2nccnc2)c1

InChI

InChI=1S/C17H20N6O2/c24-17(13-3-1-2-4-13)22-8-5-15(11-22)23-10-14(20-21-23)12-25-16-9-18-6-7-19-16/h1-2,6-7,9-10,13,15H,3-5,8,11-12H2/t15-/m1/s1

InChI Key

CUYANHXWFSFWKT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31998712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.991

Distribution Coefficient, logD

0.991

Water Solubility, LogSw

-1.36

Polar Surface Area

69.939

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S932-4506 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S932-4506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-4506?
Check Price and Availability of S932-4506, 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 S932-4506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-4506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-4506
  • 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 S932-4506 available by request