D627-0295 Screening compound: 3-(5-(3,4-dimethylphenyl)-3-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D627-0295 Screening compound: 3-(5-(3,4-dimethylphenyl)-3-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D627-0295 Screening compound: 3-(5-(3,4-dimethylphenyl)-3-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0295
3-(5-(3,4-dimethylphenyl)-3-{[4-(2-fluorophenyl)piperazino]carbonyl}-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

D627-0295

Molecular Formula

C26H29FN4O3S (C26 H29 FN4 O3 S)

Compound Name

3-(5-(3,4-dimethylphenyl)-3-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[5-(34-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazol-1-yl]-1lambda6-thiolane-11-dione

SMILES

Cc(cc1)c(C)cc1-c1cc(C(N(CC2)CCN2c(cccc2)c2F)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C26H29FN4O3S/c1-18-7-8-20(15-19(18)2)25-16-23(28-31(25)21-9-14-35(33,34)17-21)26(32)30-12-10-29(11-13-30)24-6-4-3-5-22(24)27/h3-8,15-16,21H,9-14,17H2,1-2H3/t21-/m1/s1

InChI Key

RGWPOQZXCQMKLH-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15142162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

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

3.700

Distribution Coefficient, logD

3.700

Water Solubility, LogSw

-3.98

Polar Surface Area

60.939

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with D627-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0295?
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What is the minimum amount of D627-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0295
  • 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 D627-0295 available by request