8541-0250 Screening compound: 3-[(2,3-dihydro-1H-inden-2-yl)amino]-5-[4-(dimethylamino)phenyl]cyclohex-2-en-1-one

8541-0250 Screening compound: 3-[(2,3-dihydro-1H-inden-2-yl)amino]-5-[4-(dimethylamino)phenyl]cyclohex-2-en-1-one
8541-0250 Screening compound: 3-[(2,3-dihydro-1H-inden-2-yl)amino]-5-[4-(dimethylamino)phenyl]cyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8541-0250
3-[(2,3-dihydro-1H-inden-2-yl)amino]-5-[4-(dimethylamino)phenyl]cyclohex-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

8541-0250

Molecular Formula

C23H26N2O (C23 H26 N2 O)

Compound Name

3-[(2,3-dihydro-1H-inden-2-yl)amino]-5-[4-(dimethylamino)phenyl]cyclohex-2-en-1-one

IUPAC name

3-[(23-dihydro-1H-inden-2-yl)amino]-5-[4-(dimethylamino)phenyl]cyclohex-2-en-1-one

SMILES

CN(C)c1ccc(C(C2)CC(NC(C3)Cc4c3cccc4)=CC2=O)cc1

InChI

InChI=1S/C23H26N2O/c1-25(2)22-9-7-16(8-10-22)19-13-21(15-23(26)14-19)24-20-11-17-5-3-4-6-18(17)12-20/h3-10,15,19-20,24H,11-14H2,1-2H3/t19-/m0/s1

InChI Key

BWKYIACDFYISLN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08087163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.733

Distribution Coefficient, logD

4.732

Water Solubility, LogSw

-4.42

Polar Surface Area

26.941

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

8541-0250 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8541-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8541-0250?
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What is the minimum amount of 8541-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8541-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8541-0250
  • 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 8541-0250 available by request