8014-8715 Screening compound: 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile

8014-8715 Screening compound: 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile
8014-8715 Screening compound: 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8715
4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile

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

8014-8715

Molecular Formula

C19H15N3 (C19 H15 N3)

Compound Name

4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile

IUPAC name

4-{28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaen-7-yl}benzonitrile

SMILES

N#Cc1ccc(C2NCc(cccc3)c3-n3c2ccc3)cc1

InChI

InChI=1S/C19H15N3/c20-12-14-7-9-15(10-8-14)19-18-6-3-11-22(18)17-5-2-1-4-16(17)13-21-19/h1-11,19,21H,13H2/t19-/m1/s1

InChI Key

RUXQESSVXBCZIT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03820561

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

285.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.155

Distribution Coefficient, logD

1.540

Water Solubility, LogSw

-3.13

Polar Surface Area

31.101

Acid Dissociation Constant (pKa)

24.83

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.53

8014-8715 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8014-8715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8715?
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What is the minimum amount of 8014-8715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8715
  • 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 8014-8715 available by request