SA55-3957 Screening compound: 2-[6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl]-N~1~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]acetamide

SA55-3957 Screening compound: 2-[6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl]-N~1~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]acetamide
SA55-3957 Screening compound: 2-[6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl]-N~1~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-3957
2-[6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl]-N~1~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]acetamide

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

SA55-3957

Molecular Formula

C18H19ClN4O4 (C18 H19 ClN4 O4)

Compound Name

2-[6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl]-N~1~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]acetamide

IUPAC name

n/a

SMILES

Cn1nc(CCNC(CN(c(ccc(Cl)c2)c2O2)C2=O)=O)c2c1CCOC2

InChI

InChI=1S/C18H19ClN4O4/c1-22-14-5-7-26-10-12(14)13(21-22)4-6-20-17(24)9-23-15-3-2-11(19)8-16(15)27-18(23)25/h2-3,8H,4-7,9-10H2,1H3,(H,20,24)

InChI Key

NSQZJIAHQHJNMW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.981

Distribution Coefficient, logD

0.981

Water Solubility, LogSw

-2.75

Polar Surface Area

71.220

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

SA55-3957 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA55-3957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-3957?
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What is the minimum amount of SA55-3957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-3957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-3957
  • 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 SA55-3957 available by request