C259-1208 Screening compound: 1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperidine-3-carboxamide

C259-1208 Screening compound: 1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperidine-3-carboxamide
C259-1208 Screening compound: 1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-1208
1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperidine-3-carboxamide

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

C259-1208

Molecular Formula

C26H30BrN3O6S (C26 H30 BrN3 O6 S)

Compound Name

1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperidine-3-carboxamide

IUPAC name

1-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-[(23-dihydro-14-benzodioxin-2-yl)methyl]piperidine-3-carboxamide

SMILES

CCC(N(CCc1c2)c1cc(S(N(CCC1)CC1C(NCC1Oc(cccc3)c3OC1)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C26H30BrN3O6S/c1-2-25(31)30-11-9-17-12-20(27)24(13-21(17)30)37(33,34)29-10-5-6-18(15-29)26(32)28-14-19-16-35-22-7-3-4-8-23(22)36-19/h3-4,7-8,12-13,18-19H,2,5-6,9-11,14-16H2,1H3,(H,28,32)

InChI Key

GKQJGFXRFPNZTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.228

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.56

Polar Surface Area

87.399

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.15

C259-1208 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C259-1208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-1208?
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What is the minimum amount of C259-1208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-1208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-1208
  • 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 C259-1208 available by request