M286-1983 Screening compound: 4-[4-(pentan-3-yl)piperazine-1-carbonyl]-3-[(thiomorpholin-4-yl)methyl]-1H-indole

M286-1983 Screening compound: 4-[4-(pentan-3-yl)piperazine-1-carbonyl]-3-[(thiomorpholin-4-yl)methyl]-1H-indole
M286-1983 Screening compound: 4-[4-(pentan-3-yl)piperazine-1-carbonyl]-3-[(thiomorpholin-4-yl)methyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound M286-1983
4-[4-(pentan-3-yl)piperazine-1-carbonyl]-3-[(thiomorpholin-4-yl)methyl]-1H-indole

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

M286-1983

Molecular Formula

C23H34N4OS (C23 H34 N4 OS)

Compound Name

4-[4-(pentan-3-yl)piperazine-1-carbonyl]-3-[(thiomorpholin-4-yl)methyl]-1H-indole

IUPAC name

4-[4-(pentan-3-yl)piperazine-1-carbonyl]-3-[(thiomorpholin-4-yl)methyl]-1H-indole

SMILES

CCC(CC)N(CC1)CCN1C(c1c(c(CN2CCSCC2)c[nH]2)c2ccc1)=O

InChI

InChI=1S/C23H34N4OS/c1-3-19(4-2)26-8-10-27(11-9-26)23(28)20-6-5-7-21-22(20)18(16-24-21)17-25-12-14-29-15-13-25/h5-7,16,19,24H,3-4,8-15,17H2,1-2H3

InChI Key

LBEZUYIGMIBZFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.290

Distribution Coefficient, logD

2.693

Water Solubility, LogSw

-3.71

Polar Surface Area

33.523

Acid Dissociation Constant (pKa)

18.18

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

M286-1983 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M286-1983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M286-1983?
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What is the minimum amount of M286-1983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M286-1983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M286-1983
  • 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 M286-1983 available by request