SB68-0690 Screening compound: (5S)-N-(2-methoxyethyl)-5-[(3-pyridylcarbonyl)amino]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

SB68-0690 Screening compound: (5S)-N-(2-methoxyethyl)-5-[(3-pyridylcarbonyl)amino]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SB68-0690 Screening compound: (5S)-N-(2-methoxyethyl)-5-[(3-pyridylcarbonyl)amino]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB68-0690
(5S)-N-(2-methoxyethyl)-5-[(3-pyridylcarbonyl)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

SB68-0690

Molecular Formula

C16H19N5O3 (C16 H19 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c1c(C[C@@H](C2)NC(c3cnccc3)=O)n2nc1)=O

InChI

InChI=1S/C16H19N5O3/c1-24-6-5-18-16(23)13-9-19-21-10-12(7-14(13)21)20-15(22)11-3-2-4-17-8-11/h2-4,8-9,12H,5-7,10H2,1H3,(H,18,23)(H,20,22)/t12-/m0/s1

InChI Key

SQPAINWDYBVTOO-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.296

Distribution Coefficient, logD

-0.296

Water Solubility, LogSw

-1.31

Polar Surface Area

80.600

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

SB68-0690 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 SB68-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB68-0690?
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What is the minimum amount of SB68-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB68-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB68-0690
  • 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 SB68-0690 available by request