S376-3176 Screening compound: N-(2-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide

S376-3176 Screening compound: N-(2-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide
S376-3176 Screening compound: N-(2-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S376-3176
N-(2-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide

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

S376-3176

Molecular Formula

C20H20FN5O4 (C20 H20 FN5 O4)

Compound Name

N-(2-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]acetamide

IUPAC name

N-(2-fluorophenyl)-2-[4-(5-methyl-124-oxadiazol-3-yl)-13-dioxo-1H2H3H5H6H7H8H9H-pyrimido[16-a]azepin-2-yl]acetamide

SMILES

Cc1nc(C(C(N2CC(Nc(cccc3)c3F)=O)=O)=C(CCCCC3)N3C2=O)no1

InChI

InChI=1S/C20H20FN5O4/c1-12-22-18(24-30-12)17-15-9-3-2-6-10-25(15)20(29)26(19(17)28)11-16(27)23-14-8-5-4-7-13(14)21/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,23,27)

InChI Key

GKTNIPLLYAYWLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28506523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.149

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-2.73

Polar Surface Area

86.336

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S376-3176 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S376-3176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S376-3176?
Check Price and Availability of S376-3176, 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 S376-3176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S376-3176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S376-3176
  • 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 S376-3176 available by request