SA55-4074 Screening compound: N~1~-{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide

SA55-4074 Screening compound: N~1~-{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide
SA55-4074 Screening compound: N~1~-{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-4074
N~1~-{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide

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

SA55-4074

Molecular Formula

C22H28N4O5 (C22 H28 N4 O5)

Compound Name

N~1~-{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide

IUPAC name

N-{2-[1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]ethyl}-2-(3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)propanamide

SMILES

CC(C(NCCc1nn(CCOC)c2c1COCC2)=O)N1c(cccc2)c2OCC1=O

InChI

InChI=1S/C22H28N4O5/c1-15(26-19-5-3-4-6-20(19)31-14-21(26)27)22(28)23-9-7-17-16-13-30-11-8-18(16)25(24-17)10-12-29-2/h3-6,15H,7-14H2,1-2H3,(H,23,28)/t15-/m0/s1

InChI Key

HRMRAFNMSOURAZ-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.219

Distribution Coefficient, logD

-0.219

Water Solubility, LogSw

-1.67

Polar Surface Area

79.810

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA55-4074 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA55-4074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-4074?
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What is the minimum amount of SA55-4074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-4074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-4074
  • 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 SA55-4074 available by request