D203-0037 Screening compound: 1-{4-[(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)sulfonyl]phenyl}ethan-1-one

D203-0037 Screening compound: 1-{4-[(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)sulfonyl]phenyl}ethan-1-one
D203-0037 Screening compound: 1-{4-[(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)sulfonyl]phenyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D203-0037
1-{4-[(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)sulfonyl]phenyl}ethan-1-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

D203-0037

Molecular Formula

C24H23FN6O4S (C24 H23 FN6 O4 S)

Compound Name

1-{4-[(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)sulfonyl]phenyl}ethan-1-one

IUPAC name

1-{4-[(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[123]triazolo[45-d]pyrimidin-5-yl}piperidin-1-yl)sulfonyl]phenyl}ethan-1-one

SMILES

CC(c(cc1)ccc1S(N(CC1)CCC1c1nc(O)c2nnn(Cc(cccc3)c3F)c2n1)(=O)=O)=O

InChI

InChI=1S/C24H23FN6O4S/c1-15(32)16-6-8-19(9-7-16)36(34,35)30-12-10-17(11-13-30)22-26-23-21(24(33)27-22)28-29-31(23)14-18-4-2-3-5-20(18)25/h2-9,17H,10-14H2,1H3,(H,26,27,33)

InChI Key

VMPUUUMCJIZNKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.58

Polar Surface Area

108.091

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D203-0037 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D203-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D203-0037?
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What is the minimum amount of D203-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D203-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D203-0037
  • 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 D203-0037 available by request