S376-3152 Screening compound: 2-(2,5-dimethylbenzyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione

S376-3152 Screening compound: 2-(2,5-dimethylbenzyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione
S376-3152 Screening compound: 2-(2,5-dimethylbenzyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S376-3152
2-(2,5-dimethylbenzyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione

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

S376-3152

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

2-(2,5-dimethylbenzyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione

IUPAC name

2-[(25-dimethylphenyl)methyl]-4-(5-methyl-124-oxadiazol-3-yl)-1H2H3H5H6H7H8H9H-pyrimido[16-a]azepine-13-dione

SMILES

Cc1nc(C(C(N2Cc3c(C)ccc(C)c3)=O)=C(CCCCC3)N3C2=O)no1

InChI

InChI=1S/C21H24N4O3/c1-13-8-9-14(2)16(11-13)12-25-20(26)18(19-22-15(3)28-23-19)17-7-5-4-6-10-24(17)21(25)27/h8-9,11H,4-7,10,12H2,1-3H3

InChI Key

XASJIODMUVIGTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-3.95

Polar Surface Area

63.884

Acid Dissociation Constant (pKa)

27.60

Base Dissociation Constant (pKb)

-6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

S376-3152 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S376-3152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S376-3152?
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What is the minimum amount of S376-3152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S376-3152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S376-3152
  • 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 S376-3152 available by request