4780-0007 Screening compound: 10-isobutyryl-3-phenyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

4780-0007 Screening compound: 10-isobutyryl-3-phenyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
4780-0007 Screening compound: 10-isobutyryl-3-phenyl-11-(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 4780-0007
10-isobutyryl-3-phenyl-11-(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

4780-0007

Molecular Formula

C32H34N2O5 (C32 H34 N2 O5)

Compound Name

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

IUPAC name

9-(2-methylpropanoyl)-14-phenyl-10-(345-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)C(N(C1c(cc2OC)cc(OC)c2OC)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C32H34N2O5/c1-19(2)32(36)34-25-14-10-9-13-23(25)33-24-15-21(20-11-7-6-8-12-20)16-26(35)29(24)30(34)22-17-27(37-3)31(39-5)28(18-22)38-4/h6-14,17-19,21,30,33H,15-16H2,1-5H3

InChI Key

UKSFPVCBBKEFQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03300419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.63

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

5.898

Distribution Coefficient, logD

5.579

Water Solubility, LogSw

-5.44

Polar Surface Area

62.142

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 4780-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4780-0007?
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What is the minimum amount of 4780-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4780-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4780-0007
  • 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 4780-0007 available by request