C361-2039 Screening compound: 4-methyl-3-{3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoic acid

C361-2039 Screening compound: 4-methyl-3-{3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoic acid
C361-2039 Screening compound: 4-methyl-3-{3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2039
4-methyl-3-{3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoic acid

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

C361-2039

Molecular Formula

C22H24N2O6S (C22 H24 N2 O6 S)

Compound Name

4-methyl-3-{3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoic acid

IUPAC name

4-methyl-3-{3-[(1-propanoyl-23-dihydro-1H-indol-5-yl)sulfonyl]propanamido}benzoic acid

SMILES

CCC(N(CC1)c(cc2)c1cc2S(CCC(Nc1c(C)ccc(C(O)=O)c1)=O)(=O)=O)=O

InChI

InChI=1S/C22H24N2O6S/c1-3-21(26)24-10-8-15-12-17(6-7-19(15)24)31(29,30)11-9-20(25)23-18-13-16(22(27)28)5-4-14(18)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25)(H,27,28)

InChI Key

OWXITWRRIJFQOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.188

Distribution Coefficient, logD

-0.280

Water Solubility, LogSw

-2.73

Polar Surface Area

95.286

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C361-2039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2039?
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What is the minimum amount of C361-2039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2039
  • 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 C361-2039 available by request