SB68-0733 Screening compound: N-((5S)-3-{[(2-methoxyethyl)amino]carbonyl}-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-5-yl)-5-methyl-4-(piperidinomethyl)-3-isoxazolecarboxamide

SB68-0733 Screening compound: N-((5S)-3-{[(2-methoxyethyl)amino]carbonyl}-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-5-yl)-5-methyl-4-(piperidinomethyl)-3-isoxazolecarboxamide
SB68-0733 Screening compound: N-((5S)-3-{[(2-methoxyethyl)amino]carbonyl}-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-5-yl)-5-methyl-4-(piperidinomethyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB68-0733
N-((5S)-3-{[(2-methoxyethyl)amino]carbonyl}-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-5-yl)-5-methyl-4-(piperidinomethyl)-3-isoxazolecarboxamide

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

SB68-0733

Molecular Formula

C21H30N6O4 (C21 H30 N6 O4)

Compound Name

N-((5S)-3-{[(2-methoxyethyl)amino]carbonyl}-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-5-yl)-5-methyl-4-(piperidinomethyl)-3-isoxazolecarboxamide

IUPAC name

N-[(5S)-3-[(2-methoxyethyl)carbamoyl]-4H5H6H-pyrrolo[12-b]pyrazol-5-yl]-5-methyl-4-[(piperidin-1-yl)methyl]-12-oxazole-3-carboxamide

SMILES

Cc1c(CN2CCCCC2)c(C(N[C@@H]2Cn3ncc(C(NCCOC)=O)c3C2)=O)no1

InChI

InChI=1S/C21H30N6O4/c1-14-17(13-26-7-4-3-5-8-26)19(25-31-14)21(29)24-15-10-18-16(11-23-27(18)12-15)20(28)22-6-9-30-2/h11,15H,3-10,12-13H2,1-2H3,(H,22,28)(H,24,29)/t15-/m0/s1

InChI Key

QZTFUEQGLGMCRL-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.553

Distribution Coefficient, logD

-4.198

Water Solubility, LogSw

-1.46

Polar Surface Area

97.047

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

12.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SB68-0733 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB68-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB68-0733?
Check Price and Availability of SB68-0733, 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 SB68-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB68-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB68-0733
  • 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 SB68-0733 available by request