SA55-4037 Screening compound: N~3~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-1-(4-methylbenzyl)-5-oxo-3-pyrrolidinecarboxamide

SA55-4037 Screening compound: N~3~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-1-(4-methylbenzyl)-5-oxo-3-pyrrolidinecarboxamide
SA55-4037 Screening compound: N~3~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-1-(4-methylbenzyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-4037
N~3~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-1-(4-methylbenzyl)-5-oxo-3-pyrrolidinecarboxamide

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

SA55-4037

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

N~3~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-1-(4-methylbenzyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-{2-[1-(cyclopropylmethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]ethyl}-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1ccc(CN(CC(C2)C(NCCc3nn(CC4CC4)c4c3COCC4)=O)C2=O)cc1

InChI

InChI=1S/C25H32N4O3/c1-17-2-4-18(5-3-17)13-28-15-20(12-24(28)30)25(31)26-10-8-22-21-16-32-11-9-23(21)29(27-22)14-19-6-7-19/h2-5,19-20H,6-16H2,1H3,(H,26,31)/t20-/m1/s1

InChI Key

XUMYHOMXTZTFCN-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.315

Distribution Coefficient, logD

1.315

Water Solubility, LogSw

-1.94

Polar Surface Area

65.495

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

SA55-4037 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 SA55-4037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-4037?
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What is the minimum amount of SA55-4037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-4037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-4037
  • 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 SA55-4037 available by request