D473-1955 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-N~3~-(3-pyridylmethyl)-1H-pyrazole-3-carboxamide

D473-1955 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-N~3~-(3-pyridylmethyl)-1H-pyrazole-3-carboxamide
D473-1955 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-N~3~-(3-pyridylmethyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1955
1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-N~3~-(3-pyridylmethyl)-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

D473-1955

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-N~3~-(3-pyridylmethyl)-1H-pyrazole-3-carboxamide

IUPAC name

1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide

SMILES

COc(cc1)ccc1-c1cc(C(NCc2cnccc2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C21H22N4O4S/c1-29-18-6-4-16(5-7-18)20-11-19(21(26)23-13-15-3-2-9-22-12-15)24-25(20)17-8-10-30(27,28)14-17/h2-7,9,11-12,17H,8,10,13-14H2,1H3,(H,23,26)/t17-/m1/s1

InChI Key

RFHKTGMKTDSKFH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD10043153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.262

Distribution Coefficient, logD

1.262

Water Solubility, LogSw

-1.83

Polar Surface Area

82.807

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D473-1955 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D473-1955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1955?
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What is the minimum amount of D473-1955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1955
  • 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 D473-1955 available by request