SB68-0748 Screening compound: (5S)-5-[(3-cyclohexylpropanoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

SB68-0748 Screening compound: (5S)-5-[(3-cyclohexylpropanoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SB68-0748 Screening compound: (5S)-5-[(3-cyclohexylpropanoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB68-0748
(5S)-5-[(3-cyclohexylpropanoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

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

SB68-0748

Molecular Formula

C19H30N4O3 (C19 H30 N4 O3)

Compound Name

(5S)-5-[(3-cyclohexylpropanoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

IUPAC name

(5S)-5-(3-cyclohexylpropanamido)-N-(2-methoxyethyl)-4H5H6H-pyrrolo[12-b]pyrazole-3-carboxamide

SMILES

COCCNC(c1c(C[C@@H](C2)NC(CCC3CCCCC3)=O)n2nc1)=O

InChI

InChI=1S/C19H30N4O3/c1-26-10-9-20-19(25)16-12-21-23-13-15(11-17(16)23)22-18(24)8-7-14-5-3-2-4-6-14/h12,14-15H,2-11,13H2,1H3,(H,20,25)(H,22,24)/t15-/m1/s1

InChI Key

AIJKIFMOQRWVAI-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.097

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-2.48

Polar Surface Area

71.061

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

SB68-0748 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB68-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB68-0748?
Check Price and Availability of SB68-0748, 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 SB68-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB68-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB68-0748
  • 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 SB68-0748 available by request