D750-0110 Screening compound: 2-{1-[2-oxo-2-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethyl]cyclohexyl}-1-isoindolinone

D750-0110 Screening compound: 2-{1-[2-oxo-2-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethyl]cyclohexyl}-1-isoindolinone
D750-0110 Screening compound: 2-{1-[2-oxo-2-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethyl]cyclohexyl}-1-isoindolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound D750-0110
2-{1-[2-oxo-2-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethyl]cyclohexyl}-1-isoindolinone

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

D750-0110

Molecular Formula

C27H29N3O2 (C27 H29 N3 O2)

Compound Name

2-{1-[2-oxo-2-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethyl]cyclohexyl}-1-isoindolinone

IUPAC name

2-[1-(2-oxo-2-{1H2H3H4H5H-pyrido[43-b]indol-2-yl}ethyl)cyclohexyl]-23-dihydro-1H-isoindol-1-one

SMILES

O=C(CC1(CCCCC1)N(Cc1c2cccc1)C2=O)N(CC1)Cc2c1[nH]c1c2cccc1

InChI

InChI=1S/C27H29N3O2/c31-25(29-15-12-24-22(18-29)21-10-4-5-11-23(21)28-24)16-27(13-6-1-7-14-27)30-17-19-8-2-3-9-20(19)26(30)32/h2-5,8-11,28H,1,6-7,12-18H2

InChI Key

FGMLXEUJJXILKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.27

Polar Surface Area

42.852

Acid Dissociation Constant (pKa)

18.68

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

D750-0110 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 D750-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D750-0110?
Check Price and Availability of D750-0110, 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 D750-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D750-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D750-0110
  • 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 D750-0110 available by request