4038-0029 Screening compound: 10-propionyl-3,11-bis(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

4038-0029 Screening compound: 10-propionyl-3,11-bis(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
4038-0029 Screening compound: 10-propionyl-3,11-bis(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 4038-0029
10-propionyl-3,11-bis(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

4038-0029

Molecular Formula

C34H38N2O8 (C34 H38 N2 O8)

Compound Name

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

IUPAC name

9-propanoyl-1014-bis(345-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCC(N(C1c(cc2OC)cc(OC)c2OC)c(cccc2)c2NC(CC(C2)c(cc3OC)cc(OC)c3OC)=C1C2=O)=O

InChI

InChI=1S/C34H38N2O8/c1-8-30(38)36-24-12-10-9-11-22(24)35-23-13-19(20-15-26(39-2)33(43-6)27(16-20)40-3)14-25(37)31(23)32(36)21-17-28(41-4)34(44-7)29(18-21)42-5/h9-12,15-19,32,35H,8,13-14H2,1-7H3

InChI Key

XHJQJUASFJJLER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.042

Distribution Coefficient, logD

4.723

Water Solubility, LogSw

-4.61

Polar Surface Area

84.593

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 4038-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4038-0029?
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What is the minimum amount of 4038-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4038-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4038-0029
  • 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 4038-0029 available by request