D473-2079 Screening compound: N~3~-(1H-1,3-benzimidazol-2-ylmethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide

D473-2079 Screening compound: N~3~-(1H-1,3-benzimidazol-2-ylmethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide
D473-2079 Screening compound: N~3~-(1H-1,3-benzimidazol-2-ylmethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-2079
N~3~-(1H-1,3-benzimidazol-2-ylmethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-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

D473-2079

Molecular Formula

C19H23N5O3S (C19 H23 N5 O3 S)

Compound Name

N~3~-(1H-1,3-benzimidazol-2-ylmethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide

IUPAC name

N-[(1H-13-benzodiazol-2-yl)methyl]-1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(propan-2-yl)-1H-pyrazole-3-carboxamide

SMILES

CC(C)c1cc(C(NCc2nc(cccc3)c3[nH]2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C19H23N5O3S/c1-12(2)17-9-16(23-24(17)13-7-8-28(26,27)11-13)19(25)20-10-18-21-14-5-3-4-6-15(14)22-18/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,25)(H,21,22)/t13-/m1/s1

InChI Key

JGLLYOVXCKEEKV-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD10043199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.666

Distribution Coefficient, logD

1.665

Water Solubility, LogSw

-2.50

Polar Surface Area

86.298

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

D473-2079 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Immunological Library (6760 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with D473-2079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-2079?
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What is the minimum amount of D473-2079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-2079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-2079
  • 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 D473-2079 available by request