3004-4866 Screening compound: 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3004-4866 Screening compound: 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3004-4866 Screening compound: 11-(6-chloro-4-oxo-4H-chromen-3-yl)-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 3004-4866
11-(6-chloro-4-oxo-4H-chromen-3-yl)-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

3004-4866

Molecular Formula

C24H21ClN2O3 (C24 H21 ClN2 O3)

Compound Name

11-(6-chloro-4-oxo-4H-chromen-3-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(6-chloro-4-oxo-4H-chromen-3-yl)-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2NC2C3=COc(ccc(Cl)c4)c4C3=O)=C2C1=O

InChI

InChI=1S/C24H21ClN2O3/c1-24(2)10-18-21(19(28)11-24)22(27-17-6-4-3-5-16(17)26-18)15-12-30-20-8-7-13(25)9-14(20)23(15)29/h3-9,12,22,26-27H,10-11H2,1-2H3/t22-/m0/s1

InChI Key

JLXHPDBQOPSFEY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01824498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.452

Water Solubility, LogSw

-4.62

Polar Surface Area

57.641

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3004-4866 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 3004-4866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3004-4866?
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What is the minimum amount of 3004-4866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3004-4866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3004-4866
  • 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 3004-4866 available by request