C137-2283 Screening compound: {5-bromo-6-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}(cyclopropyl)methanone

C137-2283 Screening compound: {5-bromo-6-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}(cyclopropyl)methanone
C137-2283 Screening compound: {5-bromo-6-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}(cyclopropyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-2283
{5-bromo-6-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}(cyclopropyl)methanone

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

C137-2283

Molecular Formula

C21H21BrN2O3S (C21 H21 BrN2 O3 S)

Compound Name

{5-bromo-6-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}(cyclopropyl)methanone

IUPAC name

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

SMILES

CC(Cc1c2cccc1)N2S(c(cc(c(CC1)c2)N1C(C1CC1)=O)c2Br)(=O)=O

InChI

InChI=1S/C21H21BrN2O3S/c1-13-10-15-4-2-3-5-18(15)24(13)28(26,27)20-12-19-16(11-17(20)22)8-9-23(19)21(25)14-6-7-14/h2-5,11-14H,6-10H2,1H3/t13-/m0/s1

InChI Key

LUZJQRBHUJHLBQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05026887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

4.483

Water Solubility, LogSw

-4.26

Polar Surface Area

47.675

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

C137-2283 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C137-2283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-2283?
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What is the minimum amount of C137-2283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-2283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-2283
  • 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 C137-2283 available by request