C183-0066 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one

C183-0066 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one
C183-0066 Screening compound: 3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C183-0066
3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one

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

C183-0066

Molecular Formula

C22H23BrN2O4S (C22 H23 BrN2 O4 S)

Compound Name

3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one

IUPAC name

3-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]-1-(23-dihydro-1H-indol-1-yl)propan-1-one

SMILES

CCC(N(CCc1c2)c1cc(S(CCC(N(CC1)c3c1cccc3)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C22H23BrN2O4S/c1-2-21(26)25-11-8-16-13-17(23)20(14-19(16)25)30(28,29)12-9-22(27)24-10-7-15-5-3-4-6-18(15)24/h3-6,13-14H,2,7-12H2,1H3

InChI Key

YCQCMZIPGHQNCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.503

Distribution Coefficient, logD

3.503

Water Solubility, LogSw

-3.75

Polar Surface Area

59.849

Acid Dissociation Constant (pKa)

20.28

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

C183-0066 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 C183-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C183-0066?
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What is the minimum amount of C183-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C183-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C183-0066
  • 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 C183-0066 available by request