D627-0214 Screening compound: N~3~-(3-bromo-4-methylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

D627-0214 Screening compound: N~3~-(3-bromo-4-methylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
D627-0214 Screening compound: N~3~-(3-bromo-4-methylphenyl)-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 D627-0214
N~3~-(3-bromo-4-methylphenyl)-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

D627-0214

Molecular Formula

C22H22BrN3O3S (C22 H22 BrN3 O3 S)

Compound Name

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

IUPAC name

N-(3-bromo-4-methylphenyl)-1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

SMILES

Cc(cc1)ccc1-c1cc(C(Nc2cc(Br)c(C)cc2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C22H22BrN3O3S/c1-14-3-6-16(7-4-14)21-12-20(25-26(21)18-9-10-30(28,29)13-18)22(27)24-17-8-5-15(2)19(23)11-17/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,24,27)/t18-/m0/s1

InChI Key

OGAHMTWYKZKKPG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15142133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-4.21

Polar Surface Area

64.423

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D627-0214 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D627-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0214?
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What is the minimum amount of D627-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0214
  • 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 D627-0214 available by request