S990-0588 Screening compound: 1-[4-benzoyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one

S990-0588 Screening compound: 1-[4-benzoyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one
S990-0588 Screening compound: 1-[4-benzoyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S990-0588
1-[4-benzoyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one

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

S990-0588

Molecular Formula

C17H20N4O3 (C17 H20 N4 O3)

Compound Name

1-[4-benzoyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one

IUPAC name

1-[4-benzoyl-7-(3-methyl-124-oxadiazol-5-yl)-14-diazepan-1-yl]ethan-1-one

SMILES

CC(N(CCN(CC1)C(c2ccccc2)=O)C1c1nc(C)no1)=O

InChI

InChI=1S/C17H20N4O3/c1-12-18-16(24-19-12)15-8-9-20(10-11-21(15)13(2)22)17(23)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3/t15-/m1/s1

InChI Key

PHCRVJJPTGCOJU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32233066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.915

Distribution Coefficient, logD

0.915

Water Solubility, LogSw

-1.48

Polar Surface Area

65.397

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

S990-0588 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S990-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S990-0588?
Check Price and Availability of S990-0588, 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 S990-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S990-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S990-0588
  • 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 S990-0588 available by request