8014-2892 Screening compound: 3-({2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-2-butanoylcyclohex-2-en-1-one

8014-2892 Screening compound: 3-({2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-2-butanoylcyclohex-2-en-1-one
8014-2892 Screening compound: 3-({2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-2-butanoylcyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2892
3-({2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-2-butanoylcyclohex-2-en-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

8014-2892

Molecular Formula

C28H32N2O3 (C28 H32 N2 O3)

Compound Name

3-({2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-2-butanoylcyclohex-2-en-1-one

IUPAC name

3-({2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-2-butanoylcyclohex-2-en-1-one

SMILES

CCCC(C(C(CCC1)=O)=C1NCCc1c(C)[nH]c(cc2)c1cc2OCc1ccccc1)=O

InChI

InChI=1S/C28H32N2O3/c1-3-8-26(31)28-25(11-7-12-27(28)32)29-16-15-22-19(2)30-24-14-13-21(17-23(22)24)33-18-20-9-5-4-6-10-20/h4-6,9-10,13-14,17,29-30H,3,7-8,11-12,15-16,18H2,1-2H3

InChI Key

CBDDSGHZWNPZHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-5.27

Polar Surface Area

53.964

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

8014-2892 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 8014-2892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2892?
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What is the minimum amount of 8014-2892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2892
  • 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 8014-2892 available by request