8009-4913 Screening compound: 4-[(E)-({4'-[(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}imino)methyl]-N,N-dimethyl-2-nitroaniline

8009-4913 Screening compound: 4-[(E)-({4'-[(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}imino)methyl]-N,N-dimethyl-2-nitroaniline
8009-4913 Screening compound: 4-[(E)-({4'-[(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}imino)methyl]-N,N-dimethyl-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4913
4-[(E)-({4'-[(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}imino)methyl]-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

8009-4913

Molecular Formula

C32H32N6O4 (C32 H32 N6 O4)

Compound Name

4-[(E)-({4'-[(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}imino)methyl]-N,N-dimethyl-2-nitroaniline

IUPAC name

4-[(E)-({4'-[(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]-33'-dimethyl-[11'-biphenyl]-4-yl}imino)methyl]-NN-dimethyl-2-nitroaniline

SMILES

Cc(cc(cc1)-c(cc2)cc(C)c2/N=C/c(cc2)cc([N+]([O-])=O)c2N(C)C)c1/N=C/c(cc1)cc([N+]([O-])=O)c1N(C)C

InChI

InChI=1S/C32H32N6O4/c1-21-15-25(9-11-27(21)33-19-23-7-13-29(35(3)4)31(17-23)37(39)40)26-10-12-28(22(2)16-26)34-20-24-8-14-30(36(5)6)32(18-24)38(41)42/h7-20H,1-6H3

InChI Key

SWDCTJCPHHPMFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01365064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.676

Distribution Coefficient, logD

7.675

Water Solubility, LogSw

-5.84

Polar Surface Area

85.995

Acid Dissociation Constant (pKa)

28.92

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8009-4913 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8009-4913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4913?
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What is the minimum amount of 8009-4913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4913
  • 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 8009-4913 available by request