S981-0397 Screening compound: N-{5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}cyclopropanecarboxamide

S981-0397 Screening compound: N-{5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}cyclopropanecarboxamide
S981-0397 Screening compound: N-{5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S981-0397
N-{5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}cyclopropanecarboxamide

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

S981-0397

Molecular Formula

C22H27N7O3 (C22 H27 N7 O3)

Compound Name

N-{5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}cyclopropanecarboxamide

IUPAC name

N-{5-[5-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)-12-oxazole-3-carbonyl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}cyclopropanecarboxamide

SMILES

CCn1nc(C)c(-c2cc(C(N(CC3)Cc4c3n(C)nc4NC(C3CC3)=O)=O)no2)c1C

InChI

InChI=1S/C22H27N7O3/c1-5-29-13(3)19(12(2)24-29)18-10-16(26-32-18)22(31)28-9-8-17-15(11-28)20(25-27(17)4)23-21(30)14-6-7-14/h10,14H,5-9,11H2,1-4H3,(H,23,25,30)

InChI Key

JWLNGIDVUNIANA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32232189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.004

Distribution Coefficient, logD

0.985

Water Solubility, LogSw

-2.13

Polar Surface Area

90.863

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S981-0397 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S981-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S981-0397?
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What is the minimum amount of S981-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S981-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S981-0397
  • 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 S981-0397 available by request