V030-4580 Screening compound: 3-{[2-(3-bromophenyl)quinazolin-4-yl](cyclopropyl)amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

V030-4580 Screening compound: 3-{[2-(3-bromophenyl)quinazolin-4-yl](cyclopropyl)amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
V030-4580 Screening compound: 3-{[2-(3-bromophenyl)quinazolin-4-yl](cyclopropyl)amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4580
3-{[2-(3-bromophenyl)quinazolin-4-yl](cyclopropyl)amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

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

V030-4580

Molecular Formula

C28H24BrF3N4O (C28 H24 BrF3 N4 O)

Compound Name

3-{[2-(3-bromophenyl)quinazolin-4-yl](cyclopropyl)amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

IUPAC name

3-{[2-(3-bromophenyl)quinazolin-4-yl](cyclopropyl)amino}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

SMILES

O=C(CCN(C1CC1)c1nc(-c2cccc(Br)c2)nc2ccccc12)NCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C28H24BrF3N4O/c29-21-8-4-6-19(16-21)26-34-24-10-2-1-9-23(24)27(35-26)36(22-11-12-22)14-13-25(37)33-17-18-5-3-7-20(15-18)28(30,31)32/h1-10,15-16,22H,11-14,17H2,(H,33,37)

InChI Key

NPYYHANPXBYCTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20495098

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

569.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.786

Distribution Coefficient, logD

7.309

Water Solubility, LogSw

-6.54

Polar Surface Area

44.955

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V030-4580 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V030-4580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4580?
Check Price and Availability of V030-4580, 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 V030-4580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4580
  • 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 V030-4580 available by request