SA55-4014 Screening compound: N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-4-(trifluoromethoxy)benzamide

SA55-4014 Screening compound: N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-4-(trifluoromethoxy)benzamide
SA55-4014 Screening compound: N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-4-(trifluoromethoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-4014
N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-4-(trifluoromethoxy)benzamide

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

SA55-4014

Molecular Formula

C20H22F3N3O3 (C20 H22 F3 N3 O3)

Compound Name

N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-4-(trifluoromethoxy)benzamide

IUPAC name

N-{2-[1-(cyclopropylmethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]ethyl}-4-(trifluoromethoxy)benzamide

SMILES

O=C(c(cc1)ccc1OC(F)(F)F)NCCc1nn(CC2CC2)c2c1COCC2

InChI

InChI=1S/C20H22F3N3O3/c21-20(22,23)29-15-5-3-14(4-6-15)19(27)24-9-7-17-16-12-28-10-8-18(16)26(25-17)11-13-1-2-13/h3-6,13H,1-2,7-12H2,(H,24,27)

InChI Key

IKGWGAXGTSTMOA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.946

Water Solubility, LogSw

-3.49

Polar Surface Area

54.236

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with SA55-4014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-4014?
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What is the minimum amount of SA55-4014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-4014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-4014
  • 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 SA55-4014 available by request