D753-0240 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methoxy-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}benzamide

D753-0240 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methoxy-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}benzamide
D753-0240 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methoxy-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D753-0240
3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methoxy-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}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

D753-0240

Molecular Formula

C28H32N4O3 (C28 H32 N4 O3)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methoxy-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}benzamide

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-4-methoxy-N-[(1r4r)-4-[(1-oxo-23-dihydro-1H-isoindol-2-yl)methyl]cyclohexyl]benzamide

SMILES

Cc1cc(C)nn1-c(cc(cc1)C(N[C@H]2CC[C@H](CN(Cc3c4cccc3)C4=O)CC2)=O)c1OC

InChI

InChI=1S/C28H32N4O3/c1-18-14-19(2)32(30-18)25-15-21(10-13-26(25)35-3)27(33)29-23-11-8-20(9-12-23)16-31-17-22-6-4-5-7-24(22)28(31)34/h4-7,10,13-15,20,23H,8-9,11-12,16-17H2,1-3H3,(H,29,33)

InChI Key

NBERGVWZMRCKOW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.80

Polar Surface Area

62.225

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.29

D753-0240 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 D753-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D753-0240?
Check Price and Availability of D753-0240, 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 D753-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D753-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D753-0240
  • 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 D753-0240 available by request