C109-0396 Screening compound: 3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-N~4~-[3-(1-pyrrolidinyl)propyl]-1,2,3,4-tetrahydro-4-quinazolinecarboxamide

C109-0396 Screening compound: 3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-N~4~-[3-(1-pyrrolidinyl)propyl]-1,2,3,4-tetrahydro-4-quinazolinecarboxamide
C109-0396 Screening compound: 3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-N~4~-[3-(1-pyrrolidinyl)propyl]-1,2,3,4-tetrahydro-4-quinazolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0396
3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-N~4~-[3-(1-pyrrolidinyl)propyl]-1,2,3,4-tetrahydro-4-quinazolinecarboxamide

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

C109-0396

Molecular Formula

C22H24F2N4O3 (C22 H24 F2 N4 O3)

Compound Name

3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-N~4~-[3-(1-pyrrolidinyl)propyl]-1,2,3,4-tetrahydro-4-quinazolinecarboxamide

IUPAC name

3-(26-difluorophenyl)-4-hydroxy-2-oxo-N-[3-(pyrrolidin-1-yl)propyl]-1234-tetrahydroquinazoline-4-carboxamide

SMILES

OC(C(NCCCN1CCCC1)=O)(c(cccc1)c1N1)N(c(c(F)ccc2)c2F)C1=O

InChI

InChI=1S/C22H24F2N4O3/c23-16-8-5-9-17(24)19(16)28-21(30)26-18-10-2-1-7-15(18)22(28,31)20(29)25-11-6-14-27-12-3-4-13-27/h1-2,5,7-10,31H,3-4,6,11-14H2,(H,25,29)(H,26,30)/t22-/m1/s1

InChI Key

NRGAEGNALZRINI-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

-0.512

Water Solubility, LogSw

-3.21

Polar Surface Area

70.693

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

C109-0396 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C109-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0396?
Check Price and Availability of C109-0396, 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 C109-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0396
  • 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 C109-0396 available by request