4036-0512 Screening compound: 6-amino-4-{3-[(4-fluorophenyl)methoxy]phenyl}-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4036-0512 Screening compound: 6-amino-4-{3-[(4-fluorophenyl)methoxy]phenyl}-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4036-0512 Screening compound: 6-amino-4-{3-[(4-fluorophenyl)methoxy]phenyl}-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4036-0512
6-amino-4-{3-[(4-fluorophenyl)methoxy]phenyl}-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

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

4036-0512

Molecular Formula

C27H21FN4O2 (C27 H21 FN4 O2)

Compound Name

6-amino-4-{3-[(4-fluorophenyl)methoxy]phenyl}-3-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-{3-[(4-fluorophenyl)methoxy]phenyl}-3-(4-methylphenyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc(cc1)ccc1-c1n[nH]c2c1C(c1cccc(OCc(cc3)ccc3F)c1)C(C#N)=C(N)O2

InChI

InChI=1S/C27H21FN4O2/c1-16-5-9-18(10-6-16)25-24-23(22(14-29)26(30)34-27(24)32-31-25)19-3-2-4-21(13-19)33-15-17-7-11-20(28)12-8-17/h2-13,23H,15,30H2,1H3,(H,31,32)/t23-/m0/s1

InChI Key

UEESRXKIDGSPLG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02764507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

4.832

Water Solubility, LogSw

-4.87

Polar Surface Area

77.701

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

4036-0512 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4036-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4036-0512?
Check Price and Availability of 4036-0512, 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 4036-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4036-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4036-0512
  • 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 4036-0512 available by request