E746-0685 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(4-bromo-2-fluorophenyl)butanamide

E746-0685 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(4-bromo-2-fluorophenyl)butanamide
E746-0685 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(4-bromo-2-fluorophenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E746-0685
3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(4-bromo-2-fluorophenyl)butanamide

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

E746-0685

Molecular Formula

C20H20BrFN2O4S (C20 H20 BrFN2 O4 S)

Compound Name

3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(4-bromo-2-fluorophenyl)butanamide

IUPAC name

3-[(1-acetyl-23-dihydro-1H-indol-5-yl)sulfonyl]-N-(4-bromo-2-fluorophenyl)butanamide

SMILES

CC(CC(Nc(ccc(Br)c1)c1F)=O)S(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C20H20BrFN2O4S/c1-12(9-20(26)23-18-5-3-15(21)11-17(18)22)29(27,28)16-4-6-19-14(10-16)7-8-24(19)13(2)25/h3-6,10-12H,7-9H2,1-2H3,(H,23,26)/t12-/m0/s1

InChI Key

DVRGBMRYJWNFEJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14914921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

2.717

Water Solubility, LogSw

-3.54

Polar Surface Area

68.609

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E746-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E746-0685?
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What is the minimum amount of E746-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E746-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E746-0685
  • 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 E746-0685 available by request