S694-1497 Screening compound: 3-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2,6-dimethoxypyridine

S694-1497 Screening compound: 3-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2,6-dimethoxypyridine
S694-1497 Screening compound: 3-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2,6-dimethoxypyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-1497
3-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2,6-dimethoxypyridine

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

S694-1497

Molecular Formula

C17H22N4O3 (C17 H22 N4 O3)

Compound Name

3-[3-(2,5-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2,6-dimethoxypyridine

IUPAC name

3-[3-(25-dimethyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-26-dimethoxypyridine

SMILES

Cc1cnc(C)n1C(CC1)CN1C(c(ccc(OC)n1)c1OC)=O

InChI

InChI=1S/C17H22N4O3/c1-11-9-18-12(2)21(11)13-7-8-20(10-13)17(22)14-5-6-15(23-3)19-16(14)24-4/h5-6,9,13H,7-8,10H2,1-4H3/t13-/m1/s1

InChI Key

SCDCPRJROUDAKK-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32226001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.710

Distribution Coefficient, logD

-0.244

Water Solubility, LogSw

-2.20

Polar Surface Area

53.893

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S694-1497 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S694-1497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-1497?
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What is the minimum amount of S694-1497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-1497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-1497
  • 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 S694-1497 available by request