8014-2355 Screening compound: 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4-fluorophenyl methyl ether

8014-2355 Screening compound: 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4-fluorophenyl methyl ether
8014-2355 Screening compound: 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4-fluorophenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2355
3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4-fluorophenyl methyl ether

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

8014-2355

Molecular Formula

C23H25FN2O3 (C23 H25 FN2 O3)

Compound Name

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

IUPAC name

1213-diethoxy-7-(2-fluoro-5-methoxyphenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaene

SMILES

CCOc(c(OCC)c1)cc(CNC2c(cc(cc3)OC)c3F)c1-n1c2ccc1

InChI

InChI=1S/C23H25FN2O3/c1-4-28-21-11-15-14-25-23(17-12-16(27-3)8-9-18(17)24)19-7-6-10-26(19)20(15)13-22(21)29-5-2/h6-13,23,25H,4-5,14H2,1-3H3/t23-/m1/s1

InChI Key

FCBRLORQVUWBRL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03768300

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

396.46

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

3.834

Distribution Coefficient, logD

-0.503

Water Solubility, LogSw

-4.04

Polar Surface Area

36.009

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

11.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

8014-2355 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 8014-2355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2355?
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What is the minimum amount of 8014-2355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2355
  • 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 8014-2355 available by request