3393-0139 Screening compound: 11-(4-hydroxy-3-iodo-5-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3393-0139 Screening compound: 11-(4-hydroxy-3-iodo-5-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3393-0139 Screening compound: 11-(4-hydroxy-3-iodo-5-methoxyphenyl)-3,3-dimethyl-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 3393-0139
11-(4-hydroxy-3-iodo-5-methoxyphenyl)-3,3-dimethyl-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

3393-0139

Molecular Formula

C22H23IN2O3 (C22 H23 IN2 O3)

Compound Name

11-(4-hydroxy-3-iodo-5-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(4-hydroxy-3-iodo-5-methoxyphenyl)-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2NC2c(cc3OC)cc(I)c3O)=C2C1=O

InChI

InChI=1S/C22H23IN2O3/c1-22(2)10-16-19(17(26)11-22)20(25-15-7-5-4-6-14(15)24-16)12-8-13(23)21(27)18(9-12)28-3/h4-9,20,24-25,27H,10-11H2,1-3H3/t20-/m0/s1

InChI Key

JKEZDEFIOJYTBA-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.592

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.37

Polar Surface Area

59.858

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 3393-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3393-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0139
  • 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 3393-0139 available by request