8018-7569 Screening compound: 2-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazine

8018-7569 Screening compound: 2-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazine
8018-7569 Screening compound: 2-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7569
2-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazine

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

8018-7569

Molecular Formula

C30H23N3O3 (C30 H23 N3 O3)

Compound Name

2-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazine

IUPAC name

2-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-44-diphenyl-24-dihydro-1H-31-benzoxazine

SMILES

[O-][N+](c1cc(-n2c(C3OC(c4ccccc4)(c4ccccc4)c(cccc4)c4N3)ccc2)ccc1)=O

InChI

InChI=1S/C30H23N3O3/c34-33(35)25-16-9-15-24(21-25)32-20-10-19-28(32)29-31-27-18-8-7-17-26(27)30(36-29,22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-21,29,31H/t29-/m0/s1

InChI Key

FDFXAPVVZKWBLR-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD08142990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.184

Distribution Coefficient, logD

7.184

Water Solubility, LogSw

-6.37

Polar Surface Area

54.692

Acid Dissociation Constant (pKa)

18.19

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

8018-7569 in Drug Discovery

Included in Screening Libraries

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 8018-7569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7569?
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What is the minimum amount of 8018-7569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7569
  • 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 8018-7569 available by request