8011-9880 Screening compound: 11-(3-fluorophenyl)-10-propionyl-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8011-9880 Screening compound: 11-(3-fluorophenyl)-10-propionyl-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8011-9880 Screening compound: 11-(3-fluorophenyl)-10-propionyl-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9880
11-(3-fluorophenyl)-10-propionyl-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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

8011-9880

Molecular Formula

C31H31FN2O5 (C31 H31 FN2 O5)

Compound Name

11-(3-fluorophenyl)-10-propionyl-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(3-fluorophenyl)-9-propanoyl-14-(345-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCC(N(C1c2cccc(F)c2)c(cccc2)c2NC(CC(C2)c(cc3OC)cc(OC)c3OC)=C1C2=O)=O

InChI

InChI=1S/C31H31FN2O5/c1-5-28(36)34-24-12-7-6-11-22(24)33-23-14-19(20-16-26(37-2)31(39-4)27(17-20)38-3)15-25(35)29(23)30(34)18-9-8-10-21(32)13-18/h6-13,16-17,19,30,33H,5,14-15H2,1-4H3

InChI Key

JRGWDTTXIFPOFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.399

Distribution Coefficient, logD

5.079

Water Solubility, LogSw

-5.35

Polar Surface Area

61.615

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with 8011-9880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9880?
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What is the minimum amount of 8011-9880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9880
  • 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 8011-9880 available by request