SB99-0414 Screening compound: N-cyclopropyl-3-{5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}propanamide

SB99-0414 Screening compound: N-cyclopropyl-3-{5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}propanamide
SB99-0414 Screening compound: N-cyclopropyl-3-{5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB99-0414
N-cyclopropyl-3-{5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}propanamide

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

SB99-0414

Molecular Formula

C21H30N6O2 (C21 H30 N6 O2)

Compound Name

N-cyclopropyl-3-{5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}propanamide

IUPAC name

N-cyclopropyl-3-{5-[3-(35-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}propanamide

SMILES

Cc1cc(C)nn1CCC(N(CC1)Cc2c1n(C)nc2CCC(NC1CC1)=O)=O

InChI

InChI=1S/C21H30N6O2/c1-14-12-15(2)27(23-14)11-9-21(29)26-10-8-19-17(13-26)18(24-25(19)3)6-7-20(28)22-16-4-5-16/h12,16H,4-11,13H2,1-3H3,(H,22,28)

InChI Key

MPKXISAGTLIFLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32251307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.457

Distribution Coefficient, logD

-0.457

Water Solubility, LogSw

-1.14

Polar Surface Area

69.776

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

SB99-0414 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB99-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB99-0414?
Check Price and Availability of SB99-0414, 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 SB99-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB99-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB99-0414
  • 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 SB99-0414 available by request