1185-0200 Screening compound: 3-(4-methoxyphenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-1-ium

1185-0200 Screening compound: 3-(4-methoxyphenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-1-ium
1185-0200 Screening compound: 3-(4-methoxyphenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1185-0200
3-(4-methoxyphenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-1-ium

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

1185-0200

Molecular Formula

C27H39N2O3 (C27 H39 N2 O3)

Compound Name

3-(4-methoxyphenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-1-ium

IUPAC name

3-(4-methoxyphenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-5H6H7H8H9H-imidazo[12-a]azepin-1-ium

SMILES

CC(C)C(CCC(C)C1)C1OC(C[n+]1c(CCCCC2)n2c(-c(cc2)ccc2OC)c1)=O

InChI

InChI=1S/C27H39N2O3/c1-19(2)23-14-9-20(3)16-25(23)32-27(30)18-28-17-24(21-10-12-22(31-4)13-11-21)29-15-7-5-6-8-26(28)29/h10-13,17,19-20,23,25H,5-9,14-16,18H2,1-4H3/q+1

InChI Key

QPNKEIUKHMGPED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536600

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

439.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.580

Distribution Coefficient, logD

6.580

Water Solubility, LogSw

-5.37

Polar Surface Area

30.942

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

63.00

References: we are preparing a list of scientific research reports with 1185-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1185-0200?
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What is the minimum amount of 1185-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1185-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1185-0200
  • 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 1185-0200 available by request