G585-1242 Screening compound: 1-ethyl-5-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1H-indole

G585-1242 Screening compound: 1-ethyl-5-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1H-indole
G585-1242 Screening compound: 1-ethyl-5-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound G585-1242
1-ethyl-5-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-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

G585-1242

Molecular Formula

C22H31N3O3S (C22 H31 N3 O3 S)

Compound Name

1-ethyl-5-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1H-indole

IUPAC name

1-ethyl-5-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1H-indole

SMILES

CCn(cc1)c(cc2)c1cc2S(N(CCC1)CC1C(N1CCC(C)CC1)=O)(=O)=O

InChI

InChI=1S/C22H31N3O3S/c1-3-23-14-10-18-15-20(6-7-21(18)23)29(27,28)25-11-4-5-19(16-25)22(26)24-12-8-17(2)9-13-24/h6-7,10,14-15,17,19H,3-5,8-9,11-13,16H2,1-2H3/t19-/m0/s1

InChI Key

PRXBVPBDBYUDEZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27145017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.28

Polar Surface Area

50.366

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

G585-1242 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G585-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G585-1242?
Check Price and Availability of G585-1242, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G585-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G585-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G585-1242
  • 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 G585-1242 available by request