D627-0202 Screening compound: N~3~-(3,5-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

D627-0202 Screening compound: N~3~-(3,5-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
D627-0202 Screening compound: N~3~-(3,5-dimethylphenyl)-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 D627-0202
N~3~-(3,5-dimethylphenyl)-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

D627-0202

Molecular Formula

C23H25N3O3S (C23 H25 N3 O3 S)

Compound Name

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

IUPAC name

N-(35-dimethylphenyl)-1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

SMILES

Cc(cc1)ccc1-c1cc(C(Nc2cc(C)cc(C)c2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C23H25N3O3S/c1-15-4-6-18(7-5-15)22-13-21(25-26(22)20-8-9-30(28,29)14-20)23(27)24-19-11-16(2)10-17(3)12-19/h4-7,10-13,20H,8-9,14H2,1-3H3,(H,24,27)/t20-/m1/s1

InChI Key

SMGGTSGEACDHGK-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15142126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

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

3.880

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-3.90

Polar Surface Area

64.423

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with D627-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0202?
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What is the minimum amount of D627-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0202
  • 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 D627-0202 available by request