D627-0172 Screening compound: N~3~-(3,4-dimethoxyphenethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

D627-0172 Screening compound: N~3~-(3,4-dimethoxyphenethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
D627-0172 Screening compound: N~3~-(3,4-dimethoxyphenethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0172
N~3~-(3,4-dimethoxyphenethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-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

D627-0172

Molecular Formula

C25H29N3O5S (C25 H29 N3 O5 S)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

SMILES

Cc(cc1)ccc1-c1cc(C(NCCc(cc2)cc(OC)c2OC)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C25H29N3O5S/c1-17-4-7-19(8-5-17)22-15-21(27-28(22)20-11-13-34(30,31)16-20)25(29)26-12-10-18-6-9-23(32-2)24(14-18)33-3/h4-9,14-15,20H,10-13,16H2,1-3H3,(H,26,29)/t20-/m1/s1

InChI Key

ZPXNHCSWTWZBNX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15142117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-2.91

Polar Surface Area

80.847

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D627-0172 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D627-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0172?
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What is the minimum amount of D627-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0172
  • 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 D627-0172 available by request