C137-1411 Screening compound: N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

C137-1411 Screening compound: N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide
C137-1411 Screening compound: N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-1411
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

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

C137-1411

Molecular Formula

C19H15BrF6N2O3S (C19 H15 BrF6 N2 O3 S)

Compound Name

N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonamide

IUPAC name

N-[35-bis(trifluoromethyl)phenyl]-5-bromo-1-propanoyl-23-dihydro-1H-indole-6-sulfonamide

SMILES

CCC(N(CCc1c2)c1cc(S(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(=O)=O)c2Br)=O

InChI

InChI=1S/C19H15BrF6N2O3S/c1-2-17(29)28-4-3-10-5-14(20)16(9-15(10)28)32(30,31)27-13-7-11(18(21,22)23)6-12(8-13)19(24,25)26/h5-9,27H,2-4H2,1H3

InChI Key

PQEGILUPMJBZSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.606

Distribution Coefficient, logD

2.030

Water Solubility, LogSw

-5.42

Polar Surface Area

56.311

Acid Dissociation Constant (pKa)

3.82

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

References: we are preparing a list of scientific research reports with C137-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C137-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-1411
  • 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 C137-1411 available by request