V027-7935 Screening compound: 2-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V027-7935 Screening compound: 2-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V027-7935 Screening compound: 2-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7935
2-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-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

V027-7935

Molecular Formula

C24H23F3N2O2 (C24 H23 F3 N2 O2)

Compound Name

2-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

IUPAC name

2-[(23-dihydro-14-benzodioxin-6-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

FC(c1ccc(C2N(Cc(cc3)cc4c3OCCO4)CCCn3c2ccc3)cc1)(F)F

InChI

InChI=1S/C24H23F3N2O2/c25-24(26,27)19-7-5-18(6-8-19)23-20-3-1-10-28(20)11-2-12-29(23)16-17-4-9-21-22(15-17)31-14-13-30-21/h1,3-10,15,23H,2,11-14,16H2/t23-/m1/s1

InChI Key

PWXKCCIQIWEFDS-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19888013

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-4.37

Polar Surface Area

21.765

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V027-7935 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V027-7935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7935?
Check Price and Availability of V027-7935, 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 V027-7935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7935
  • 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 V027-7935 available by request