8013-4070 Screening compound: 2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenol

8013-4070 Screening compound: 2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenol
8013-4070 Screening compound: 2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4070
2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenol

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

8013-4070

Molecular Formula

C18H16N2O (C18 H16 N2 O)

Compound Name

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

IUPAC name

2-{28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaen-7-yl}phenol

SMILES

Oc1c(C2NCc(cccc3)c3-n3c2ccc3)cccc1

InChI

InChI=1S/C18H16N2O/c21-17-10-4-2-7-14(17)18-16-9-5-11-20(16)15-8-3-1-6-13(15)12-19-18/h1-11,18-19,21H,12H2/t18-/m1/s1

InChI Key

IPGVWGIPUHTLOR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03766519

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.374

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-3.05

Polar Surface Area

30.593

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.11

8013-4070 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8013-4070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4070?
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What is the minimum amount of 8013-4070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4070
  • 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 8013-4070 available by request