C561-2134 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C561-2134 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C561-2134 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2134
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-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

C561-2134

Molecular Formula

C30H34N4O3 (C30 H34 N4 O3)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-3-[1-(34-dimethylphenyl)-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl]propanamide

SMILES

CC(c(cc1)cc2c1OCCO2)NC(CCc1c(C)nc2n(-c3cc(C)c(C)cc3)nc(C)c2c1C)=O

InChI

InChI=1S/C30H34N4O3/c1-17-7-9-24(15-18(17)2)34-30-29(22(6)33-34)19(3)25(21(5)32-30)10-12-28(35)31-20(4)23-8-11-26-27(16-23)37-14-13-36-26/h7-9,11,15-16,20H,10,12-14H2,1-6H3,(H,31,35)/t20-/m0/s1

InChI Key

YJNIUENBVOWUTL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14771382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.974

Water Solubility, LogSw

-4.88

Polar Surface Area

63.397

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

References: we are preparing a list of scientific research reports with C561-2134 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2134
  • 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 C561-2134 available by request