SB68-0736 Screening compound: (5S)-5-[(2,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

SB68-0736 Screening compound: (5S)-5-[(2,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SB68-0736 Screening compound: (5S)-5-[(2,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB68-0736
(5S)-5-[(2,4-dimethylbenzoyl)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

SB68-0736

Molecular Formula

C19H24N4O3 (C19 H24 N4 O3)

Compound Name

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

IUPAC name

(5S)-5-(24-dimethylbenzamido)-N-(2-methoxyethyl)-4H5H6H-pyrrolo[12-b]pyrazole-3-carboxamide

SMILES

Cc(cc1)cc(C)c1C(N[C@@H]1Cn2ncc(C(NCCOC)=O)c2C1)=O

InChI

InChI=1S/C19H24N4O3/c1-12-4-5-15(13(2)8-12)19(25)22-14-9-17-16(10-21-23(17)11-14)18(24)20-6-7-26-3/h4-5,8,10,14H,6-7,9,11H2,1-3H3,(H,20,24)(H,22,25)/t14-/m0/s1

InChI Key

FLUOJERAPJSRHW-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.054

Distribution Coefficient, logD

2.054

Water Solubility, LogSw

-2.77

Polar Surface Area

71.083

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

SB68-0736 in Drug Discovery

Included in Screening Libraries

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 SB68-0736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB68-0736?
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What is the minimum amount of SB68-0736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB68-0736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB68-0736
  • 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 SB68-0736 available by request