SB70-0983 Screening compound: (5S)-5-{[(4-chlorobenzyl)sulfonyl]amino}-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

SB70-0983 Screening compound: (5S)-5-{[(4-chlorobenzyl)sulfonyl]amino}-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
SB70-0983 Screening compound: (5S)-5-{[(4-chlorobenzyl)sulfonyl]amino}-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB70-0983
(5S)-5-{[(4-chlorobenzyl)sulfonyl]amino}-N-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-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

SB70-0983

Molecular Formula

C17H21ClN4O4S (C17 H21 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c1nn(C[C@H](C2)NS(Cc(cc3)ccc3Cl)(=O)=O)c2c1)=O

InChI

InChI=1S/C17H21ClN4O4S/c1-26-7-6-19-17(23)16-9-15-8-14(10-22(15)20-16)21-27(24,25)11-12-2-4-13(18)5-3-12/h2-5,9,14,21H,6-8,10-11H2,1H3,(H,19,23)/t14-/m0/s1

InChI Key

XCLGGPCYVDNPJC-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.190

Distribution Coefficient, logD

1.190

Water Solubility, LogSw

-2.83

Polar Surface Area

90.268

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

SB70-0983 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB70-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB70-0983?
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What is the minimum amount of SB70-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB70-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB70-0983
  • 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 SB70-0983 available by request