C183-0272 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,2-dimethoxyethyl)-N-methylpropanamide

C183-0272 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,2-dimethoxyethyl)-N-methylpropanamide
C183-0272 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,2-dimethoxyethyl)-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C183-0272
3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,2-dimethoxyethyl)-N-methylpropanamide

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

C183-0272

Molecular Formula

C19H27BrN2O6S (C19 H27 BrN2 O6 S)

Compound Name

3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-N-(2,2-dimethoxyethyl)-N-methylpropanamide

IUPAC name

3-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]-N-(22-dimethoxyethyl)-N-methylpropanamide

SMILES

CCC(N(CCc1c2)c1cc(S(CCC(N(C)CC(OC)OC)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C19H27BrN2O6S/c1-5-17(23)22-8-6-13-10-14(20)16(11-15(13)22)29(25,26)9-7-18(24)21(2)12-19(27-3)28-4/h10-11,19H,5-9,12H2,1-4H3

InChI Key

XOAADDLAWHYJNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.180

Distribution Coefficient, logD

1.180

Water Solubility, LogSw

-1.79

Polar Surface Area

76.087

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

C183-0272 in Drug Discovery

Included in Screening Libraries

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 C183-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C183-0272?
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What is the minimum amount of C183-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C183-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C183-0272
  • 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 C183-0272 available by request