3046-8902 Screening compound: 10-acetyl-11-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3046-8902 Screening compound: 10-acetyl-11-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3046-8902 Screening compound: 10-acetyl-11-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-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 3046-8902
10-acetyl-11-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-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

3046-8902

Molecular Formula

C32H35N3O3 (C32 H35 N3 O3)

Compound Name

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

IUPAC name

9-acetyl-10-[4-(diethylamino)phenyl]-14-(4-methoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCN(CC)c1ccc(C2N(C(C)=O)c(cccc3)c3NC(CC(C3)c(cc4)ccc4OC)=C2C3=O)cc1

InChI

InChI=1S/C32H35N3O3/c1-5-34(6-2)25-15-11-23(12-16-25)32-31-28(33-27-9-7-8-10-29(27)35(32)21(3)36)19-24(20-30(31)37)22-13-17-26(38-4)18-14-22/h7-18,24,32-33H,5-6,19-20H2,1-4H3

InChI Key

LLSZIEVIUOSCSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01944662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.010

Distribution Coefficient, logD

5.690

Water Solubility, LogSw

-5.56

Polar Surface Area

49.912

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.30

3046-8902 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3046-8902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3046-8902?
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What is the minimum amount of 3046-8902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3046-8902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3046-8902
  • 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 3046-8902 available by request