V002-1557 Screening compound: 2-[(3-phenoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V002-1557 Screening compound: 2-[(3-phenoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V002-1557 Screening compound: 2-[(3-phenoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1557
2-[(3-phenoxyphenyl)methyl]-1-[3-(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

V002-1557

Molecular Formula

C28H25F3N2O (C28 H25 F3 N2 O)

Compound Name

2-[(3-phenoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

IUPAC name

2-[(3-phenoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

FC(c1cc(C2N(Cc3cc(Oc4ccccc4)ccc3)CCCn3c2ccc3)ccc1)(F)F

InChI

InChI=1S/C28H25F3N2O/c29-28(30,31)23-10-5-9-22(19-23)27-26-14-6-15-32(26)16-7-17-33(27)20-21-8-4-13-25(18-21)34-24-11-2-1-3-12-24/h1-6,8-15,18-19,27H,7,16-17,20H2/t27-/m1/s1

InChI Key

UWGLMPJMIAFJBZ-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19893031

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.090

Distribution Coefficient, logD

7.080

Water Solubility, LogSw

-6.40

Polar Surface Area

12.690

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with V002-1557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1557?
Check Price and Availability of V002-1557, 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 V002-1557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1557
  • 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 V002-1557 available by request