C614-1084 Screening compound: 2-(3-{1-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methyl-1H-indol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

C614-1084 Screening compound: 2-(3-{1-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methyl-1H-indol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one
C614-1084 Screening compound: 2-(3-{1-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methyl-1H-indol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-1084
2-(3-{1-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methyl-1H-indol-1-yl)-1-(pyrrolidin-1-yl)ethan-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

C614-1084

Molecular Formula

C30H33BrN4O4S (C30 H33 BrN4 O4 S)

Compound Name

2-(3-{1-[(1-acetyl-5-bromo-2,3-dihydro-1H-indol-6-yl)sulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methyl-1H-indol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(3-{1-[(1-acetyl-5-bromo-23-dihydro-1H-indol-6-yl)sulfonyl]-1236-tetrahydropyridin-4-yl}-2-methyl-1H-indol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

CC(N(CCc1c2)c1cc(S(N(CC1)CC=C1c1c(C)n(CC(N3CCCC3)=O)c3c1cccc3)(=O)=O)c2Br)=O

InChI

InChI=1S/C30H33BrN4O4S/c1-20-30(24-7-3-4-8-26(24)35(20)19-29(37)32-12-5-6-13-32)22-9-14-33(15-10-22)40(38,39)28-18-27-23(17-25(28)31)11-16-34(27)21(2)36/h3-4,7-9,17-18H,5-6,10-16,19H2,1-2H3

InChI Key

KKHHUUCXYCPWNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

625.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.41

Polar Surface Area

66.055

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C614-1084 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 C614-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C614-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-1084
  • 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 C614-1084 available by request