SC99-0213 Screening compound: 2-(1-ethyl-4-piperidyl)-1-[3-(1H-imidazol-2-yl)-1-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1-ethanone

SC99-0213 Screening compound: 2-(1-ethyl-4-piperidyl)-1-[3-(1H-imidazol-2-yl)-1-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1-ethanone
SC99-0213 Screening compound: 2-(1-ethyl-4-piperidyl)-1-[3-(1H-imidazol-2-yl)-1-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC99-0213
2-(1-ethyl-4-piperidyl)-1-[3-(1H-imidazol-2-yl)-1-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1-ethanone

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

SC99-0213

Molecular Formula

C21H32N6O (C21 H32 N6 O)

Compound Name

2-(1-ethyl-4-piperidyl)-1-[3-(1H-imidazol-2-yl)-1-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1-ethanone

IUPAC name

2-(1-ethylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)-1-(propan-2-yl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl]ethan-1-one

SMILES

CCN1CCC(CC(N(CC2)Cc3c2n(C(C)C)nc3-c2ncc[nH]2)=O)CC1

InChI

InChI=1S/C21H32N6O/c1-4-25-10-5-16(6-11-25)13-19(28)26-12-7-18-17(14-26)20(21-22-8-9-23-21)24-27(18)15(2)3/h8-9,15-16H,4-7,10-14H2,1-3H3,(H,22,23)

InChI Key

QUUHXHYKHWUAIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32260431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.679

Distribution Coefficient, logD

-0.383

Water Solubility, LogSw

-1.88

Polar Surface Area

55.132

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

SC99-0213 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 SC99-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC99-0213?
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What is the minimum amount of SC99-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC99-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC99-0213
  • 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 SC99-0213 available by request