SA55-2176 Screening compound: N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-3,4-difluorobenzamide

SA55-2176 Screening compound: N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-3,4-difluorobenzamide
SA55-2176 Screening compound: N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-3,4-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-2176
N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-3,4-difluorobenzamide

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

SA55-2176

Molecular Formula

C19H21F2N3O2 (C19 H21 F2 N3 O2)

Compound Name

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

IUPAC name

N-{2-[1-(cyclopropylmethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]ethyl}-34-difluorobenzamide

SMILES

O=C(c(cc1)cc(F)c1F)NCCc1nn(CC2CC2)c2c1COCC2

InChI

InChI=1S/C19H21F2N3O2/c20-15-4-3-13(9-16(15)21)19(25)22-7-5-17-14-11-26-8-6-18(14)24(23-17)10-12-1-2-12/h3-4,9,12H,1-2,5-8,10-11H2,(H,22,25)

InChI Key

LENOASHHVQFZPI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.131

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.88

Polar Surface Area

48.299

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

SA55-2176 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA55-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-2176?
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What is the minimum amount of SA55-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-2176
  • 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 SA55-2176 available by request