C561-2126 Screening compound: ethyl 3-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate

C561-2126 Screening compound: ethyl 3-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate
C561-2126 Screening compound: ethyl 3-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2126
ethyl 3-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate

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

C561-2126

Molecular Formula

C34H42N4O4 (C34 H42 N4 O4)

Compound Name

ethyl 3-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate

IUPAC name

ethyl 3-{3-[1-(34-dimethylphenyl)-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate

SMILES

CCOC(CC(c(cc1)ccc1OC(C)C)NC(CCc1c(C)nc2n(-c3cc(C)c(C)cc3)nc(C)c2c1C)=O)=O

InChI

InChI=1S/C34H42N4O4/c1-9-41-32(40)19-30(26-11-14-28(15-12-26)42-20(2)3)36-31(39)17-16-29-23(6)33-25(8)37-38(34(33)35-24(29)7)27-13-10-21(4)22(5)18-27/h10-15,18,20,30H,9,16-17,19H2,1-8H3,(H,36,39)/t30-/m0/s1

InChI Key

VSZHKCDDXXHGEX-PMERELPUSA-N

MDL Number (MFCD)

MFCD14771374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.693

Distribution Coefficient, logD

6.680

Water Solubility, LogSw

-5.93

Polar Surface Area

75.003

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

C561-2126 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C561-2126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2126?
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What is the minimum amount of C561-2126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2126
  • 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 C561-2126 available by request