D361-1147 Screening compound: 4-(3-ethoxy-4-methoxyphenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-1147 Screening compound: 4-(3-ethoxy-4-methoxyphenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-1147 Screening compound: 4-(3-ethoxy-4-methoxyphenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-1147
4-(3-ethoxy-4-methoxyphenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

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

D361-1147

Molecular Formula

C26H26N6O4 (C26 H26 N6 O4)

Compound Name

4-(3-ethoxy-4-methoxyphenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(3-ethoxy-4-methoxyphenyl)-1-[5-(3-methoxyphenyl)-124-triazin-3-yl]-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCOc(cc(C(CC(N1)=O)c2c1n(-c1nncc(-c3cc(OC)ccc3)n1)nc2C)cc1)c1OC

InChI

InChI=1S/C26H26N6O4/c1-5-36-22-12-16(9-10-21(22)35-4)19-13-23(33)29-25-24(19)15(2)31-32(25)26-28-20(14-27-30-26)17-7-6-8-18(11-17)34-3/h6-12,14,19H,5,13H2,1-4H3,(H,29,33)/t19-/m0/s1

InChI Key

AHJLBAIIMYMSGV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14824911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.127

Distribution Coefficient, logD

3.127

Water Solubility, LogSw

-3.22

Polar Surface Area

92.759

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

D361-1147 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D361-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-1147?
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What is the minimum amount of D361-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-1147
  • 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 D361-1147 available by request