C137-2176 Screening compound: 2-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline

C137-2176 Screening compound: 2-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
C137-2176 Screening compound: 2-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2176
2-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-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

C137-2176

Molecular Formula

C21H21BrN2O3S (C21 H21 BrN2 O3 S)

Compound Name

2-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]-1234-tetrahydroisoquinoline

SMILES

O=C(C1CC1)N(CCc1c2)c1cc(S(N(CC1)Cc3c1cccc3)(=O)=O)c2Br

InChI

InChI=1S/C21H21BrN2O3S/c22-18-11-16-8-10-24(21(25)15-5-6-15)19(16)12-20(18)28(26,27)23-9-7-14-3-1-2-4-17(14)13-23/h1-4,11-12,15H,5-10,13H2

InChI Key

PQYXVYZCAHGWRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.29

Polar Surface Area

47.813

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C137-2176 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C137-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2176?
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What is the minimum amount of C137-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2176
  • 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 C137-2176 available by request