8017-8583 Screening compound: 4-[5-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)furan-2-yl]benzoic acid

8017-8583 Screening compound: 4-[5-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)furan-2-yl]benzoic acid
8017-8583 Screening compound: 4-[5-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)furan-2-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8583
4-[5-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)furan-2-yl]benzoic acid

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

8017-8583

Molecular Formula

C31H23NO4 (C31 H23 NO4)

Compound Name

4-[5-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)furan-2-yl]benzoic acid

IUPAC name

4-[5-(44-diphenyl-24-dihydro-1H-31-benzoxazin-2-yl)furan-2-yl]benzoic acid

SMILES

OC(c(cc1)ccc1-c1ccc(C2OC(c3ccccc3)(c3ccccc3)c(cccc3)c3N2)o1)=O

InChI

InChI=1S/C31H23NO4/c33-30(34)22-17-15-21(16-18-22)27-19-20-28(35-27)29-32-26-14-8-7-13-25(26)31(36-29,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-20,29,32H,(H,33,34)/t29-/m0/s1

InChI Key

LQOKMAUCRRJKHW-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD06618782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.500

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-6.02

Polar Surface Area

56.069

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.45

8017-8583 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8017-8583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8583?
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What is the minimum amount of 8017-8583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8583
  • 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 8017-8583 available by request