E587-0534 Screening compound: methyl 4-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

E587-0534 Screening compound: methyl 4-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
E587-0534 Screening compound: methyl 4-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0534
methyl 4-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

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

E587-0534

Molecular Formula

C26H29N3O4S (C26 H29 N3 O4 S)

Compound Name

methyl 4-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

SMILES

CC(CC1)CCN1C(Cn1c(cccc2)c2c(SCC(Nc(cc2)ccc2C(OC)=O)=O)c1)=O

InChI

InChI=1S/C26H29N3O4S/c1-18-11-13-28(14-12-18)25(31)16-29-15-23(21-5-3-4-6-22(21)29)34-17-24(30)27-20-9-7-19(8-10-20)26(32)33-2/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,27,30)

InChI Key

ODXLQRBMCBPMNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.955

Distribution Coefficient, logD

3.955

Water Solubility, LogSw

-3.87

Polar Surface Area

62.415

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

E587-0534 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E587-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0534?
Check Price and Availability of E587-0534, 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 E587-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0534
  • 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 E587-0534 available by request