Screening compound: C31H28ClF3N4O (V006-6594)

Screening compound: C<sub>31</sub>H<sub>28</sub>ClF<sub>3</sub>N<sub>4</sub>O (V006-6594)
Screening compound: C<sub>31</sub>H<sub>28</sub>ClF<sub>3</sub>N<sub>4</sub>O (V006-6594) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C31H28ClF3N4O (V006-6594)

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

V006-6594

Molecular Formula

C31H28ClF3N4O (C31 H28 ClF3 N4 O)

Compound Name

1-{5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl}-4-[3-(trifluoromethyl)benzoyl]-1,4-diazepane

IUPAC name

1-{5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl}-4-[3-(trifluoromethyl)benzoyl]-14-diazepane

SMILES

Cc1nc(-c2ccccc2)nc(N(CCC2)CCN2C(c2cc(C(F)(F)F)ccc2)=O)c1Cc(cc1)ccc1Cl

InChI

InChI=1S/C31H28ClF3N4O/c1-21-27(19-22-11-13-26(32)14-12-22)29(37-28(36-21)23-7-3-2-4-8-23)38-15-6-16-39(18-17-38)30(40)24-9-5-10-25(20-24)31(33,34)35/h2-5,7-14,20H,6,15-19H2,1H3

InChI Key

UAHYCZBBMJLDQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19763052

C31H28ClF3N4O (V006-6594) in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C31H28ClF3N4O (V006-6594) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C31H28ClF3N4O (V006-6594)?
Check Price and Availability of C31H28ClF3N4O (V006-6594), 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 C31H28ClF3N4O (V006-6594) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C31H28ClF3N4O (V006-6594)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C31H28ClF3N4O (V006-6594)
  • 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 C31H28ClF3N4O (V006-6594) available by request