3805-1381 Screening compound: 11-[4-(dimethylamino)phenyl]-10-pentanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3805-1381 Screening compound: 11-[4-(dimethylamino)phenyl]-10-pentanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3805-1381 Screening compound: 11-[4-(dimethylamino)phenyl]-10-pentanoyl-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 3805-1381
11-[4-(dimethylamino)phenyl]-10-pentanoyl-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

3805-1381

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

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

IUPAC name

10-[4-(dimethylamino)phenyl]-9-pentanoyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCCCC(N(C1c(cc2)ccc2N(C)C)c(cccc2)c2NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C26H31N3O2/c1-4-5-13-24(31)29-22-11-7-6-9-20(22)27-21-10-8-12-23(30)25(21)26(29)18-14-16-19(17-15-18)28(2)3/h6-7,9,11,14-17,26-27H,4-5,8,10,12-13H2,1-3H3/t26-/m0/s1

InChI Key

SUKBELZFYDZOOS-SANMLTNESA-N

MDL Number (MFCD)

MFCD14708723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.967

Distribution Coefficient, logD

4.844

Water Solubility, LogSw

-4.54

Polar Surface Area

41.714

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

3805-1381 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 3805-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3805-1381?
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What is the minimum amount of 3805-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3805-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3805-1381
  • 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 3805-1381 available by request