8003-1902 Screening compound: 4-[(E)-({4'-[(E)-{[4-(3,5-dinitrobenzoyloxy)phenyl]methylidene}amino]-[1,1'-biphenyl]-4-yl}imino)methyl]phenyl 3,5-dinitrobenzoate

8003-1902 Screening compound: 4-[(E)-({4'-[(E)-{[4-(3,5-dinitrobenzoyloxy)phenyl]methylidene}amino]-[1,1'-biphenyl]-4-yl}imino)methyl]phenyl 3,5-dinitrobenzoate
8003-1902 Screening compound: 4-[(E)-({4'-[(E)-{[4-(3,5-dinitrobenzoyloxy)phenyl]methylidene}amino]-[1,1'-biphenyl]-4-yl}imino)methyl]phenyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-1902
4-[(E)-({4'-[(E)-{[4-(3,5-dinitrobenzoyloxy)phenyl]methylidene}amino]-[1,1'-biphenyl]-4-yl}imino)methyl]phenyl 3,5-dinitrobenzoate

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

8003-1902

Molecular Formula

C40H24N6O12 (C40 H24 N6 O12)

Compound Name

4-[(E)-({4'-[(E)-{[4-(3,5-dinitrobenzoyloxy)phenyl]methylidene}amino]-[1,1'-biphenyl]-4-yl}imino)methyl]phenyl 3,5-dinitrobenzoate

IUPAC name

4-[(E)-({4'-[(E)-{[4-(35-dinitrobenzoyloxy)phenyl]methylidene}amino]-[11'-biphenyl]-4-yl}imino)methyl]phenyl 35-dinitrobenzoate

SMILES

[O-][N+](c1cc(C(Oc2ccc(/C=N/c(cc3)ccc3-c(cc3)ccc3/N=C/c(cc3)ccc3OC(c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3)=O)cc2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C40H24N6O12/c47-39(29-17-33(43(49)50)21-34(18-29)44(51)52)57-37-13-1-25(2-14-37)23-41-31-9-5-27(6-10-31)28-7-11-32(12-8-28)42-24-26-3-15-38(16-4-26)58-40(48)30-19-35(45(53)54)22-36(20-30)46(55)56/h1-24H

InChI Key

OIFBKVXIEQLTRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

780.66

Hydrogen Bond Acceptors Count

24.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

7.423

Distribution Coefficient, logD

7.417

Water Solubility, LogSw

-6.22

Polar Surface Area

190.504

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-1902 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8003-1902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-1902?
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What is the minimum amount of 8003-1902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-1902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-1902
  • 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 8003-1902 available by request