SA85-0276 Screening compound: 4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one

SA85-0276 Screening compound: 4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one
SA85-0276 Screening compound: 4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA85-0276
4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one

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

SA85-0276

Molecular Formula

C16H24N4O3 (C16 H24 N4 O3)

Compound Name

4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one

IUPAC name

4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-hydroxy-1-(2-methylpropyl)-14-diazepan-2-one

SMILES

CC(C)CN(CC(CN(C1)C(c2n[nH]c(C3CC3)c2)=O)O)C1=O

InChI

InChI=1S/C16H24N4O3/c1-10(2)6-19-7-12(21)8-20(9-15(19)22)16(23)14-5-13(17-18-14)11-3-4-11/h5,10-12,21H,3-4,6-9H2,1-2H3,(H,17,18)/t12-/m1/s1

InChI Key

YUIODRJBTGJVJW-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD32242627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.011

Distribution Coefficient, logD

1.011

Water Solubility, LogSw

-1.66

Polar Surface Area

72.729

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

SA85-0276 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA85-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA85-0276?
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What is the minimum amount of SA85-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA85-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA85-0276
  • 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 SA85-0276 available by request