C137-1413 Screening compound: ethyl 1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate

C137-1413 Screening compound: ethyl 1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate
C137-1413 Screening compound: ethyl 1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-1413
ethyl 1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate

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

C137-1413

Molecular Formula

C19H25BrN2O5S (C19 H25 BrN2 O5 S)

Compound Name

ethyl 1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-carboxylate

SMILES

CCC(N(CCc1c2)c1cc(S(N(CCC1)CC1C(OCC)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C19H25BrN2O5S/c1-3-18(23)22-9-7-13-10-15(20)17(11-16(13)22)28(25,26)21-8-5-6-14(12-21)19(24)27-4-2/h10-11,14H,3-9,12H2,1-2H3/t14-/m0/s1

InChI Key

NTURODCXGLHELQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14721532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.893

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-3.37

Polar Surface Area

68.059

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

C137-1413 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C137-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-1413?
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What is the minimum amount of C137-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-1413
  • 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 C137-1413 available by request