C274-8410 Screening compound: 2-[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

C274-8410 Screening compound: 2-[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline
C274-8410 Screening compound: 2-[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-8410
2-[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

C274-8410

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

2-[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[1-(213-benzoxadiazole-4-sulfonyl)piperidine-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

O=C(C(CCC1)CN1S(c1cccc2nonc12)(=O)=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H22N4O4S/c26-21(24-12-10-15-5-1-2-6-16(15)13-24)17-7-4-11-25(14-17)30(27,28)19-9-3-8-18-20(19)23-29-22-18/h1-3,5-6,8-9,17H,4,7,10-14H2/t17-/m0/s1

InChI Key

UPBYJHLKPISVNE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05029647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.21

Polar Surface Area

84.283

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

C274-8410 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with C274-8410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-8410?
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What is the minimum amount of C274-8410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-8410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-8410
  • 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 C274-8410 available by request