SB70-0814 Screening compound: (5S)-5-{[2-(1-azepanyl)acetyl]amino}-N-benzyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

SB70-0814 Screening compound: (5S)-5-{[2-(1-azepanyl)acetyl]amino}-N-benzyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
SB70-0814 Screening compound: (5S)-5-{[2-(1-azepanyl)acetyl]amino}-N-benzyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB70-0814
(5S)-5-{[2-(1-azepanyl)acetyl]amino}-N-benzyl-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

SB70-0814

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

(5S)-5-{[2-(1-azepanyl)acetyl]amino}-N-benzyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

IUPAC name

(5S)-5-[2-(azepan-1-yl)acetamido]-N-benzyl-4H5H6H-pyrrolo[12-b]pyrazole-2-carboxamide

SMILES

O=C(CN1CCCCCC1)N[C@@H](Cc1c2)Cn1nc2C(NCc1ccccc1)=O

InChI

InChI=1S/C22H29N5O2/c28-21(16-26-10-6-1-2-7-11-26)24-18-12-19-13-20(25-27(19)15-18)22(29)23-14-17-8-4-3-5-9-17/h3-5,8-9,13,18H,1-2,6-7,10-12,14-16H2,(H,23,29)(H,24,28)/t18-/m1/s1

InChI Key

ANQARYUEFFTTCG-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

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

2.235

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-2.83

Polar Surface Area

66.749

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SB70-0814 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 SB70-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB70-0814?
Check Price and Availability of SB70-0814, 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 SB70-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB70-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB70-0814
  • 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 SB70-0814 available by request