V009-4237 Screening compound: 2-({1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl}methyl)phenol

V009-4237 Screening compound: 2-({1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl}methyl)phenol
V009-4237 Screening compound: 2-({1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl}methyl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4237
2-({1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl}methyl)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

V009-4237

Molecular Formula

C22H21F3N2O (C22 H21 F3 N2 O)

Compound Name

2-({1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl}methyl)phenol

IUPAC name

2-({1-[3-(trifluoromethyl)phenyl]-1H2H3H4H5H-pyrrolo[12-a][14]diazepin-2-yl}methyl)phenol

SMILES

Oc1c(CN(CCCn2c3ccc2)C3c2cccc(C(F)(F)F)c2)cccc1

InChI

InChI=1S/C22H21F3N2O/c23-22(24,25)18-8-3-7-16(14-18)21-19-9-4-11-26(19)12-5-13-27(21)15-17-6-1-2-10-20(17)28/h1-4,6-11,14,21,28H,5,12-13,15H2/t21-/m1/s1

InChI Key

KEFOMMJEVYBVDI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19893051

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

386.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.104

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-4.89

Polar Surface Area

22.490

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with V009-4237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4237?
Check Price and Availability of V009-4237, 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 V009-4237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4237
  • 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 V009-4237 available by request