8018-3627 Screening compound: 4-[4,4-bis(4-methylphenyl)-2,4-dihydro-1H-3,1-benzoxazin-2-yl]-N,N-dimethyl-2-nitroaniline

8018-3627 Screening compound: 4-[4,4-bis(4-methylphenyl)-2,4-dihydro-1H-3,1-benzoxazin-2-yl]-N,N-dimethyl-2-nitroaniline
8018-3627 Screening compound: 4-[4,4-bis(4-methylphenyl)-2,4-dihydro-1H-3,1-benzoxazin-2-yl]-N,N-dimethyl-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3627
4-[4,4-bis(4-methylphenyl)-2,4-dihydro-1H-3,1-benzoxazin-2-yl]-N,N-dimethyl-2-nitroaniline

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

8018-3627

Molecular Formula

C30H29N3O3 (C30 H29 N3 O3)

Compound Name

4-[4,4-bis(4-methylphenyl)-2,4-dihydro-1H-3,1-benzoxazin-2-yl]-N,N-dimethyl-2-nitroaniline

IUPAC name

4-[44-bis(4-methylphenyl)-24-dihydro-1H-31-benzoxazin-2-yl]-NN-dimethyl-2-nitroaniline

SMILES

Cc1ccc(C2(c3ccc(C)cc3)OC(c(cc3)cc([N+]([O-])=O)c3N(C)C)Nc3c2cccc3)cc1

InChI

InChI=1S/C30H29N3O3/c1-20-9-14-23(15-10-20)30(24-16-11-21(2)12-17-24)25-7-5-6-8-26(25)31-29(36-30)22-13-18-27(32(3)4)28(19-22)33(34)35/h5-19,29,31H,1-4H3/t29-/m0/s1

InChI Key

GRXFOBRWPNBELO-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD07658207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

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

7.546

Distribution Coefficient, logD

7.546

Water Solubility, LogSw

-5.80

Polar Surface Area

54.846

Acid Dissociation Constant (pKa)

17.03

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8018-3627 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 8018-3627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3627?
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What is the minimum amount of 8018-3627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3627
  • 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 8018-3627 available by request