D753-0006 Screening compound: N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-4-(4-oxo-3,4-dihydroquinazolin-2-yl)butanamide

D753-0006 Screening compound: N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-4-(4-oxo-3,4-dihydroquinazolin-2-yl)butanamide
D753-0006 Screening compound: N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-4-(4-oxo-3,4-dihydroquinazolin-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D753-0006
N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-4-(4-oxo-3,4-dihydroquinazolin-2-yl)butanamide

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

D753-0006

Molecular Formula

C27H30N4O3 (C27 H30 N4 O3)

Compound Name

N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-4-(4-oxo-3,4-dihydroquinazolin-2-yl)butanamide

IUPAC name

4-(4-oxo-34-dihydroquinazolin-2-yl)-N-[(1r4r)-4-[(1-oxo-23-dihydro-1H-isoindol-2-yl)methyl]cyclohexyl]butanamide

SMILES

O=C(CCCC(N1)=Nc(cccc2)c2C1=O)N[C@H]1CC[C@H](CN(Cc2c3cccc2)C3=O)CC1

InChI

InChI=1S/C27H30N4O3/c32-25(11-5-10-24-29-23-9-4-3-8-22(23)26(33)30-24)28-20-14-12-18(13-15-20)16-31-17-19-6-1-2-7-21(19)27(31)34/h1-4,6-9,18,20H,5,10-17H2,(H,28,32)(H,29,30,33)

InChI Key

WLGUEMKNCHEKKK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

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

2.409

Distribution Coefficient, logD

2.406

Water Solubility, LogSw

-3.10

Polar Surface Area

75.744

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

D753-0006 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 D753-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D753-0006?
Check Price and Availability of D753-0006, 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 D753-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D753-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D753-0006
  • 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 D753-0006 available by request