D627-0297 Screening compound: 3-(5-(3,4-dimethylphenyl)-3-{[4-(2-pyridyl)piperazino]carbonyl}-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D627-0297 Screening compound: 3-(5-(3,4-dimethylphenyl)-3-{[4-(2-pyridyl)piperazino]carbonyl}-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D627-0297 Screening compound: 3-(5-(3,4-dimethylphenyl)-3-{[4-(2-pyridyl)piperazino]carbonyl}-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0297
3-(5-(3,4-dimethylphenyl)-3-{[4-(2-pyridyl)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

D627-0297

Molecular Formula

C25H29N5O3S (C25 H29 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1-c1cc(C(N(CC2)CCN2c2ncccc2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C25H29N5O3S/c1-18-6-7-20(15-19(18)2)23-16-22(27-30(23)21-8-14-34(32,33)17-21)25(31)29-12-10-28(11-13-29)24-5-3-4-9-26-24/h3-7,9,15-16,21H,8,10-14,17H2,1-2H3/t21-/m1/s1

InChI Key

KMXMSLPBSVMMHP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15142264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.189

Distribution Coefficient, logD

3.180

Water Solubility, LogSw

-3.27

Polar Surface Area

69.752

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D627-0297 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D627-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0297?
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What is the minimum amount of D627-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0297
  • 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 D627-0297 available by request