V012-3687 Screening compound: 1-(2,3-difluorophenyl)-2-[(4-fluorophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V012-3687 Screening compound: 1-(2,3-difluorophenyl)-2-[(4-fluorophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V012-3687 Screening compound: 1-(2,3-difluorophenyl)-2-[(4-fluorophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3687
1-(2,3-difluorophenyl)-2-[(4-fluorophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

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

V012-3687

Molecular Formula

C21H19F3N2 (C21 H19 F3 N2)

Compound Name

1-(2,3-difluorophenyl)-2-[(4-fluorophenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

IUPAC name

1-(23-difluorophenyl)-2-[(4-fluorophenyl)methyl]-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

Fc1ccc(CN(CCCn2c3ccc2)C3c2cccc(F)c2F)cc1

InChI

InChI=1S/C21H19F3N2/c22-16-9-7-15(8-10-16)14-26-13-3-12-25-11-2-6-19(25)21(26)17-4-1-5-18(23)20(17)24/h1-2,4-11,21H,3,12-14H2/t21-/m1/s1

InChI Key

PZESSLLNMZNQPK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19893103

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

356.39

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.880

Distribution Coefficient, logD

4.878

Water Solubility, LogSw

-4.86

Polar Surface Area

5.942

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V012-3687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3687?
Check Price and Availability of V012-3687, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V012-3687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3687
  • 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 V012-3687 available by request