8018-7608 Screening compound: 2-[4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)-2-methoxyphenoxy]acetamide

8018-7608 Screening compound: 2-[4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)-2-methoxyphenoxy]acetamide
8018-7608 Screening compound: 2-[4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)-2-methoxyphenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7608
2-[4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)-2-methoxyphenoxy]acetamide

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

8018-7608

Molecular Formula

C29H26N2O4 (C29 H26 N2 O4)

Compound Name

2-[4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)-2-methoxyphenoxy]acetamide

IUPAC name

2-[4-(44-diphenyl-24-dihydro-1H-31-benzoxazin-2-yl)-2-methoxyphenoxy]acetamide

SMILES

COc(cc(C1OC(c2ccccc2)(c2ccccc2)c(cccc2)c2N1)cc1)c1OCC(N)=O

InChI

InChI=1S/C29H26N2O4/c1-33-26-18-20(16-17-25(26)34-19-27(30)32)28-31-24-15-9-8-14-23(24)29(35-28,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-18,28,31H,19H2,1H3,(H2,30,32)/t28-/m0/s1

InChI Key

KTTLOMJDGQXCIK-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD08143026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.699

Water Solubility, LogSw

-4.68

Polar Surface Area

67.866

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

8018-7608 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8018-7608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7608?
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What is the minimum amount of 8018-7608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7608
  • 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 8018-7608 available by request