SB68-0741 Screening compound: (5S)-N-(2-methoxyethyl)-5-{[3-(4-methoxyphenyl)propanoyl]amino}-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

SB68-0741 Screening compound: (5S)-N-(2-methoxyethyl)-5-{[3-(4-methoxyphenyl)propanoyl]amino}-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SB68-0741 Screening compound: (5S)-N-(2-methoxyethyl)-5-{[3-(4-methoxyphenyl)propanoyl]amino}-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB68-0741
(5S)-N-(2-methoxyethyl)-5-{[3-(4-methoxyphenyl)propanoyl]amino}-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

SB68-0741

Molecular Formula

C20H26N4O4 (C20 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c1c(C[C@@H](C2)NC(CCc(cc3)ccc3OC)=O)n2nc1)=O

InChI

InChI=1S/C20H26N4O4/c1-27-10-9-21-20(26)17-12-22-24-13-15(11-18(17)24)23-19(25)8-5-14-3-6-16(28-2)7-4-14/h3-4,6-7,12,15H,5,8-11,13H2,1-2H3,(H,21,26)(H,23,25)/t15-/m1/s1

InChI Key

BFRDLIJOLJROMI-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.297

Distribution Coefficient, logD

1.297

Water Solubility, LogSw

-2.12

Polar Surface Area

78.413

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

SB68-0741 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB68-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB68-0741?
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What is the minimum amount of SB68-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB68-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB68-0741
  • 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 SB68-0741 available by request