D361-1041 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-1041 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-1041 Screening compound: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-1041
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3,5-difluorophenyl)-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

D361-1041

Molecular Formula

C22H15ClF2N6O (C22 H15 ClF2 N6 O)

Compound Name

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

IUPAC name

1-[5-(4-chlorophenyl)-124-triazin-3-yl]-4-(35-difluorophenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c2cc(F)cc(F)c2)c2NC1=O)nn2-c1nncc(-c(cc2)ccc2Cl)n1

InChI

InChI=1S/C22H15ClF2N6O/c1-11-20-17(13-6-15(24)8-16(25)7-13)9-19(32)28-21(20)31(30-11)22-27-18(10-26-29-22)12-2-4-14(23)5-3-12/h2-8,10,17H,9H2,1H3,(H,28,32)/t17-/m0/s1

InChI Key

HLEFBJOJCRPYKZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14824850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.201

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.52

Polar Surface Area

70.375

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

D361-1041 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D361-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-1041?
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What is the minimum amount of D361-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-1041
  • 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 D361-1041 available by request