M628-0091 Screening compound: 4-(pyrrolidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}quinazoline-6-carboxamide

M628-0091 Screening compound: 4-(pyrrolidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}quinazoline-6-carboxamide
M628-0091 Screening compound: 4-(pyrrolidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}quinazoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M628-0091
4-(pyrrolidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}quinazoline-6-carboxamide

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

M628-0091

Molecular Formula

C21H19F3N4O (C21 H19 F3 N4 O)

Compound Name

4-(pyrrolidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}quinazoline-6-carboxamide

IUPAC name

4-(pyrrolidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}quinazoline-6-carboxamide

SMILES

O=C(c1cc2c(N3CCCC3)ncnc2cc1)NCc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C21H19F3N4O/c22-21(23,24)17-6-2-1-5-15(17)12-25-20(29)14-7-8-18-16(11-14)19(27-13-26-18)28-9-3-4-10-28/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,25,29)

InChI Key

AVIYXGSNTAPUQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.34

Polar Surface Area

47.928

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M628-0091 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M628-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M628-0091?
Check Price and Availability of M628-0091, 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 M628-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M628-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M628-0091
  • 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 M628-0091 available by request