8011-9911 Screening compound: 4-[11-(4-fluorophenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

8011-9911 Screening compound: 4-[11-(4-fluorophenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
8011-9911 Screening compound: 4-[11-(4-fluorophenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9911
4-[11-(4-fluorophenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic 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

8011-9911

Molecular Formula

C29H24FN3O6 (C29 H24 FN3 O6)

Compound Name

4-[11-(4-fluorophenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

IUPAC name

4-[10-(4-fluorophenyl)-14-(3-nitrophenyl)-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]-4-oxobutanoic acid

SMILES

[O-][N+](c1cccc(C(C2)CC(Nc(cccc3)c3N(C3c(cc4)ccc4F)C(CCC(O)=O)=O)=C3C2=O)c1)=O

InChI

InChI=1S/C29H24FN3O6/c30-20-10-8-17(9-11-20)29-28-23(15-19(16-25(28)34)18-4-3-5-21(14-18)33(38)39)31-22-6-1-2-7-24(22)32(29)26(35)12-13-27(36)37/h1-11,14,19,29,31H,12-13,15-16H2,(H,36,37)

InChI Key

QJWJZTNUTYDFGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02233757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

1.433

Water Solubility, LogSw

-4.35

Polar Surface Area

100.403

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.70

8011-9911 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-9911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9911?
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What is the minimum amount of 8011-9911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9911
  • 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 8011-9911 available by request