D627-0169 Screening compound: 3-[3-{[4-(4-fluorophenyl)piperazino]carbonyl}-5-(4-methylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D627-0169 Screening compound: 3-[3-{[4-(4-fluorophenyl)piperazino]carbonyl}-5-(4-methylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D627-0169 Screening compound: 3-[3-{[4-(4-fluorophenyl)piperazino]carbonyl}-5-(4-methylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0169
3-[3-{[4-(4-fluorophenyl)piperazino]carbonyl}-5-(4-methylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

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

D627-0169

Molecular Formula

C25H27FN4O3S (C25 H27 FN4 O3 S)

Compound Name

3-[3-{[4-(4-fluorophenyl)piperazino]carbonyl}-5-(4-methylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(4-methylphenyl)-1H-pyrazol-1-yl}-1lambda6-thiolane-11-dione

SMILES

Cc(cc1)ccc1-c1cc(C(N(CC2)CCN2c(cc2)ccc2F)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C25H27FN4O3S/c1-18-2-4-19(5-3-18)24-16-23(27-30(24)22-10-15-34(32,33)17-22)25(31)29-13-11-28(12-14-29)21-8-6-20(26)7-9-21/h2-9,16,22H,10-15,17H2,1H3/t22-/m1/s1

InChI Key

AUAPPPHNVSHDKV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15142114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.33

Polar Surface Area

61.240

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with D627-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0169?
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What is the minimum amount of D627-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0169
  • 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 D627-0169 available by request