D757-0027 Screening compound: 4-methoxy-N-methyl-3-[({trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}carbonyl)amino]benzamide

D757-0027 Screening compound: 4-methoxy-N-methyl-3-[({trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}carbonyl)amino]benzamide
D757-0027 Screening compound: 4-methoxy-N-methyl-3-[({trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}carbonyl)amino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D757-0027
4-methoxy-N-methyl-3-[({trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}carbonyl)amino]benzamide

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

D757-0027

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

4-methoxy-N-methyl-3-[({trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}carbonyl)amino]benzamide

IUPAC name

4-methoxy-N-methyl-3-[(1r4r)-4-[(1-oxo-23-dihydro-1H-isoindol-2-yl)methyl]cyclohexaneamido]benzamide

SMILES

CNC(c(cc1)cc(NC([C@H]2CC[C@H](CN(Cc3c4cccc3)C4=O)CC2)=O)c1OC)=O

InChI

InChI=1S/C25H29N3O4/c1-26-23(29)18-11-12-22(32-2)21(13-18)27-24(30)17-9-7-16(8-10-17)14-28-15-19-5-3-4-6-20(19)25(28)31/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H,26,29)(H,27,30)

InChI Key

KEWIYZSFBMWZGK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

3.006

Water Solubility, LogSw

-3.50

Polar Surface Area

71.936

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D757-0027 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 D757-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D757-0027?
Check Price and Availability of D757-0027, 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 D757-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D757-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D757-0027
  • 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 D757-0027 available by request