S694-0377 Screening compound: 4-methyl-5-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-1,3-oxazole

S694-0377 Screening compound: 4-methyl-5-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-1,3-oxazole
S694-0377 Screening compound: 4-methyl-5-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-0377
4-methyl-5-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-1,3-oxazole

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

S694-0377

Molecular Formula

C18H24N4O3 (C18 H24 N4 O3)

Compound Name

4-methyl-5-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-1,3-oxazole

IUPAC name

4-methyl-5-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-13-oxazole

SMILES

Cc1cnc(C2CCOCC2)n1C(CC1)CN1C(c1c(C)nco1)=O

InChI

InChI=1S/C18H24N4O3/c1-12-9-19-17(14-4-7-24-8-5-14)22(12)15-3-6-21(10-15)18(23)16-13(2)20-11-25-16/h9,11,14-15H,3-8,10H2,1-2H3/t15-/m1/s1

InChI Key

FYTCMZJANIFOJR-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32226049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.048

Distribution Coefficient, logD

-0.755

Water Solubility, LogSw

-1.25

Polar Surface Area

55.498

Acid Dissociation Constant (pKa)

23.55

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S694-0377 in Drug Discovery

Included in Screening Libraries

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 S694-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-0377?
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What is the minimum amount of S694-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-0377
  • 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 S694-0377 available by request