C561-2770 Screening compound: 1-(2-chlorophenyl)-N-[1-(3,4-dihydro-2H-1-benzopyran-7-yl)ethyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

C561-2770 Screening compound: 1-(2-chlorophenyl)-N-[1-(3,4-dihydro-2H-1-benzopyran-7-yl)ethyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
C561-2770 Screening compound: 1-(2-chlorophenyl)-N-[1-(3,4-dihydro-2H-1-benzopyran-7-yl)ethyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2770
1-(2-chlorophenyl)-N-[1-(3,4-dihydro-2H-1-benzopyran-7-yl)ethyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-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

C561-2770

Molecular Formula

C26H25ClN4O2 (C26 H25 ClN4 O2)

Compound Name

1-(2-chlorophenyl)-N-[1-(3,4-dihydro-2H-1-benzopyran-7-yl)ethyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

1-(2-chlorophenyl)-N-[1-(34-dihydro-2H-1-benzopyran-7-yl)ethyl]-36-dimethyl-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

CC(c1cc(OCCC2)c2cc1)NC(c1c(c(C)nn2-c(cccc3)c3Cl)c2nc(C)c1)=O

InChI

InChI=1S/C26H25ClN4O2/c1-15-13-20(24-17(3)30-31(25(24)28-15)22-9-5-4-8-21(22)27)26(32)29-16(2)19-11-10-18-7-6-12-33-23(18)14-19/h4-5,8-11,13-14,16H,6-7,12H2,1-3H3,(H,29,32)/t16-/m0/s1

InChI Key

XSRSWSBLGONPCL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14771694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.234

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-5.54

Polar Surface Area

54.588

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

C561-2770 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C561-2770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2770?
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What is the minimum amount of C561-2770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2770
  • 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 C561-2770 available by request