D473-2105 Screening compound: N~3~-{4-[(4-chlorobenzyl)oxy]phenyl}-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide

D473-2105 Screening compound: N~3~-{4-[(4-chlorobenzyl)oxy]phenyl}-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide
D473-2105 Screening compound: N~3~-{4-[(4-chlorobenzyl)oxy]phenyl}-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 D473-2105
N~3~-{4-[(4-chlorobenzyl)oxy]phenyl}-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

D473-2105

Molecular Formula

C24H26ClN3O4S (C24 H26 ClN3 O4 S)

Compound Name

N~3~-{4-[(4-chlorobenzyl)oxy]phenyl}-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide

IUPAC name

N-{4-[(4-chlorophenyl)methoxy]phenyl}-1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(propan-2-yl)-1H-pyrazole-3-carboxamide

SMILES

CC(C)c1cc(C(Nc(cc2)ccc2OCc(cc2)ccc2Cl)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C24H26ClN3O4S/c1-16(2)23-13-22(27-28(23)20-11-12-33(30,31)15-20)24(29)26-19-7-9-21(10-8-19)32-14-17-3-5-18(25)6-4-17/h3-10,13,16,20H,11-12,14-15H2,1-2H3,(H,26,29)/t20-/m0/s1

InChI Key

IOAUEZUIULSGGS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10043202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.955

Distribution Coefficient, logD

3.955

Water Solubility, LogSw

-4.40

Polar Surface Area

71.922

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D473-2105 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D473-2105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-2105?
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What is the minimum amount of D473-2105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-2105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-2105
  • 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 D473-2105 available by request