C137-0100 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2-bromo-4-methylphenyl)propanamide

C137-0100 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2-bromo-4-methylphenyl)propanamide
C137-0100 Screening compound: 3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2-bromo-4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-0100
3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2-bromo-4-methylphenyl)propanamide

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

C137-0100

Molecular Formula

C20H20Br2N2O4S (C20 H20 Br2 N2 O4 S)

Compound Name

3-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2-bromo-4-methylphenyl)propanamide

IUPAC name

3-[(1-acetyl-5-bromo-23-dihydro-1H-indol-6-yl)sulfonyl]-N-(2-bromo-4-methylphenyl)propanamide

SMILES

CC(N(CCc1c2)c1cc(S(CCC(Nc(ccc(C)c1)c1Br)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C20H20Br2N2O4S/c1-12-3-4-17(15(21)9-12)23-20(26)6-8-29(27,28)19-11-18-14(10-16(19)22)5-7-24(18)13(2)25/h3-4,9-11H,5-8H2,1-2H3,(H,23,26)

InChI Key

MFXRUKHXONDPQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.26

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

3.376

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.76

Polar Surface Area

67.873

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with C137-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-0100?
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What is the minimum amount of C137-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-0100
  • 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 C137-0100 available by request