D627-0274 Screening compound: 3-[3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D627-0274 Screening compound: 3-[3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D627-0274 Screening compound: 3-[3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0274
3-[3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-5-(3,4-dimethylphenyl)-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

D627-0274

Molecular Formula

C25H27N3O3S (C25 H27 N3 O3 S)

Compound Name

3-[3-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[5-(34-dimethylphenyl)-3-(1234-tetrahydroisoquinoline-2-carbonyl)-1H-pyrazol-1-yl]-1lambda6-thiolane-11-dione

SMILES

Cc(cc1)c(C)cc1-c1cc(C(N(CC2)Cc3c2cccc3)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C25H27N3O3S/c1-17-7-8-20(13-18(17)2)24-14-23(26-28(24)22-10-12-32(30,31)16-22)25(29)27-11-9-19-5-3-4-6-21(19)15-27/h3-8,13-14,22H,9-12,15-16H2,1-2H3/t22-/m1/s1

InChI Key

MZFYFXGIUHUOPF-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15142150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-3.88

Polar Surface Area

57.642

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D627-0274 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D627-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0274?
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What is the minimum amount of D627-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0274
  • 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 D627-0274 available by request