SA55-1883 Screening compound: 3-(1H-1,3-benzimidazol-2-yl)-N~1~-[2-(1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide

SA55-1883 Screening compound: 3-(1H-1,3-benzimidazol-2-yl)-N~1~-[2-(1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide
SA55-1883 Screening compound: 3-(1H-1,3-benzimidazol-2-yl)-N~1~-[2-(1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-1883
3-(1H-1,3-benzimidazol-2-yl)-N~1~-[2-(1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide

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

SA55-1883

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

3-(1H-1,3-benzimidazol-2-yl)-N~1~-[2-(1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide

IUPAC name

3-(1H-13-benzodiazol-2-yl)-N-{2-[1-(propan-2-yl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]ethyl}propanamide

SMILES

CC(C)n1nc(CCNC(CCc2nc(cccc3)c3[nH]2)=O)c2c1CCOC2

InChI

InChI=1S/C21H27N5O2/c1-14(2)26-19-10-12-28-13-15(19)16(25-26)9-11-22-21(27)8-7-20-23-17-5-3-4-6-18(17)24-20/h3-6,14H,7-13H2,1-2H3,(H,22,27)(H,23,24)

InChI Key

GAKYCRHMCOGOEG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.533

Distribution Coefficient, logD

1.520

Water Solubility, LogSw

-2.02

Polar Surface Area

68.584

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

SA55-1883 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA55-1883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-1883?
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What is the minimum amount of SA55-1883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-1883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-1883
  • 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 SA55-1883 available by request