D627-0070 Screening compound: 3-[3-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D627-0070 Screening compound: 3-[3-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D627-0070 Screening compound: 3-[3-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0070
3-[3-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-5-(2-thienyl)-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

D627-0070

Molecular Formula

C23H25N3O5S2 (C23 H25 N3 O5 S2)

Compound Name

3-[3-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[3-(67-dimethoxy-1234-tetrahydroisoquinoline-2-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda6-thiolane-11-dione

SMILES

COc1cc(CCN(C2)C(c3nn(C(CC4)CS4(=O)=O)c(-c4cccs4)c3)=O)c2cc1OC

InChI

InChI=1S/C23H25N3O5S2/c1-30-20-10-15-5-7-25(13-16(15)11-21(20)31-2)23(27)18-12-19(22-4-3-8-32-22)26(24-18)17-6-9-33(28,29)14-17/h3-4,8,10-12,17H,5-7,9,13-14H2,1-2H3/t17-/m1/s1

InChI Key

RPVFZEZPEFIGHC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD15142205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-2.72

Polar Surface Area

73.921

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with D627-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0070?
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What is the minimum amount of D627-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0070
  • 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 D627-0070 available by request