8014-2327 Screening compound: 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4H-chromen-4-one

8014-2327 Screening compound: 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4H-chromen-4-one
8014-2327 Screening compound: 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2327
3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4H-chromen-4-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

8014-2327

Molecular Formula

C25H24N2O4 (C25 H24 N2 O4)

Compound Name

3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4H-chromen-4-one

IUPAC name

3-{1213-diethoxy-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaen-7-yl}-4H-chromen-4-one

SMILES

CCOc(c(OCC)c1)cc(CNC2C3=COc(cccc4)c4C3=O)c1-n1c2ccc1

InChI

InChI=1S/C25H24N2O4/c1-3-29-22-12-16-14-26-24(18-15-31-21-10-6-5-8-17(21)25(18)28)19-9-7-11-27(19)20(16)13-23(22)30-4-2/h5-13,15,24,26H,3-4,14H2,1-2H3/t24-/m1/s1

InChI Key

TYSGOOQFEPLJAB-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03768274

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

2.113

Water Solubility, LogSw

-3.67

Polar Surface Area

49.358

Acid Dissociation Constant (pKa)

25.11

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

8014-2327 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8014-2327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2327?
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What is the minimum amount of 8014-2327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2327
  • 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 8014-2327 available by request