S555-1236 Screening compound: 2-methoxy-N-[4-(3-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide

S555-1236 Screening compound: 2-methoxy-N-[4-(3-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide
S555-1236 Screening compound: 2-methoxy-N-[4-(3-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S555-1236
2-methoxy-N-[4-(3-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-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

S555-1236

Molecular Formula

C17H20N4O4 (C17 H20 N4 O4)

Compound Name

2-methoxy-N-[4-(3-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide

IUPAC name

2-methoxy-N-[4-(3-methyl-1H-pyrazole-5-carbonyl)-2345-tetrahydro-14-benzoxazepin-7-yl]acetamide

SMILES

Cc1n[nH]c(C(N2Cc(cc(cc3)NC(COC)=O)c3OCC2)=O)c1

InChI

InChI=1S/C17H20N4O4/c1-11-7-14(20-19-11)17(23)21-5-6-25-15-4-3-13(8-12(15)9-21)18-16(22)10-24-2/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,18,22)(H,19,20)

InChI Key

CSPGTZUUURUMSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.068

Distribution Coefficient, logD

1.067

Water Solubility, LogSw

-2.21

Polar Surface Area

78.972

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

References: we are preparing a list of scientific research reports with S555-1236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S555-1236?
Check Price and Availability of S555-1236, 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 S555-1236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S555-1236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S555-1236
  • 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 S555-1236 available by request