S694-1821 Screening compound: 3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-1H-indazole

S694-1821 Screening compound: 3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-1H-indazole
S694-1821 Screening compound: 3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-1821
3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-1H-indazole

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

S694-1821

Molecular Formula

C20H23N5O (C20 H23 N5 O)

Compound Name

3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-1H-indazole

IUPAC name

3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-1H-indazole

SMILES

Cc1cnc(C2CCC2)n1C(CC1)CN1C(c1n[nH]c2c1cccc2)=O

InChI

InChI=1S/C20H23N5O/c1-13-11-21-19(14-5-4-6-14)25(13)15-9-10-24(12-15)20(26)18-16-7-2-3-8-17(16)22-23-18/h2-3,7-8,11,14-15H,4-6,9-10,12H2,1H3,(H,22,23)/t15-/m1/s1

InChI Key

LQTYOHICENLCQQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32226206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

-0.590

Water Solubility, LogSw

-2.55

Polar Surface Area

52.254

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

10.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

S694-1821 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S694-1821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-1821?
Check Price and Availability of S694-1821, 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 S694-1821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-1821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-1821
  • 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 S694-1821 available by request