C287-0304 Screening compound: 3-[(1-acetyl-5-bromo-2-methyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

C287-0304 Screening compound: 3-[(1-acetyl-5-bromo-2-methyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one
C287-0304 Screening compound: 3-[(1-acetyl-5-bromo-2-methyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C287-0304
3-[(1-acetyl-5-bromo-2-methyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

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

C287-0304

Molecular Formula

C23H25BrN2O4S (C23 H25 BrN2 O4 S)

Compound Name

3-[(1-acetyl-5-bromo-2-methyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

IUPAC name

3-[(1-acetyl-5-bromo-2-methyl-23-dihydro-1H-indol-6-yl)sulfonyl]-1-(1234-tetrahydroisoquinolin-2-yl)propan-1-one

SMILES

CC(Cc1c2)N(C(C)=O)c1cc(S(CCC(N(CC1)Cc3c1cccc3)=O)(=O)=O)c2Br

InChI

InChI=1S/C23H25BrN2O4S/c1-15-11-19-12-20(24)22(13-21(19)26(15)16(2)27)31(29,30)10-8-23(28)25-9-7-17-5-3-4-6-18(17)14-25/h3-6,12-13,15H,7-11,14H2,1-2H3/t15-/m1/s1

InChI Key

IQFRSOSSSHAAMB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14740913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.52

Polar Surface Area

60.415

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

C287-0304 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C287-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C287-0304?
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What is the minimum amount of C287-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C287-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C287-0304
  • 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 C287-0304 available by request