SB71-0029 Screening compound: 5-(4-methoxy-2-methylbenzoyl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

SB71-0029 Screening compound: 5-(4-methoxy-2-methylbenzoyl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SB71-0029 Screening compound: 5-(4-methoxy-2-methylbenzoyl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB71-0029
5-(4-methoxy-2-methylbenzoyl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-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

SB71-0029

Molecular Formula

C18H22N4O3 (C18 H22 N4 O3)

Compound Name

5-(4-methoxy-2-methylbenzoyl)-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

IUPAC name

5-(4-methoxy-2-methylbenzoyl)-NN-dimethyl-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxamide

SMILES

Cc(cc(cc1)OC)c1C(N1Cc2cc(C(N(C)C)=O)nn2CC1)=O

InChI

InChI=1S/C18H22N4O3/c1-12-9-14(25-4)5-6-15(12)17(23)21-7-8-22-13(11-21)10-16(19-22)18(24)20(2)3/h5-6,9-10H,7-8,11H2,1-4H3

InChI Key

LRHSHBCWZNPCJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32249160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.618

Distribution Coefficient, logD

0.618

Water Solubility, LogSw

-2.10

Polar Surface Area

53.902

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

SB71-0029 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 SB71-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB71-0029?
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What is the minimum amount of SB71-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB71-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB71-0029
  • 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 SB71-0029 available by request