SD06-0866 Screening compound: N~1~-[(1R,2R,4R)-2-[(4-isobutylpiperazino)carbonyl]-4-(phenoxymethyl)cyclopentyl]-2-methoxyacetamide

SD06-0866 Screening compound: N~1~-[(1R,2R,4R)-2-[(4-isobutylpiperazino)carbonyl]-4-(phenoxymethyl)cyclopentyl]-2-methoxyacetamide
SD06-0866 Screening compound: N~1~-[(1R,2R,4R)-2-[(4-isobutylpiperazino)carbonyl]-4-(phenoxymethyl)cyclopentyl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD06-0866
N~1~-[(1R,2R,4R)-2-[(4-isobutylpiperazino)carbonyl]-4-(phenoxymethyl)cyclopentyl]-2-methoxyacetamide

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

SD06-0866

Molecular Formula

C24H37N3O4 (C24 H37 N3 O4)

Compound Name

N~1~-[(1R,2R,4R)-2-[(4-isobutylpiperazino)carbonyl]-4-(phenoxymethyl)cyclopentyl]-2-methoxyacetamide

IUPAC name

2-methoxy-N-[(1R2R4R)-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-4-(phenoxymethyl)cyclopentyl]acetamide

SMILES

CC(C)CN(CC1)CCN1C([C@@H](C[C@H](COc1ccccc1)C1)[C@H]1NC(COC)=O)=O

InChI

InChI=1S/C24H37N3O4/c1-18(2)15-26-9-11-27(12-10-26)24(29)21-13-19(14-22(21)25-23(28)17-30-3)16-31-20-7-5-4-6-8-20/h4-8,18-19,21-22H,9-17H2,1-3H3,(H,25,28)/t19-,21+,22+/m1/s1

InChI Key

PMRXANUXTPYLLS-HJNYFJLDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.469

Distribution Coefficient, logD

2.005

Water Solubility, LogSw

-2.70

Polar Surface Area

61.303

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.67

SD06-0866 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 SD06-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD06-0866?
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What is the minimum amount of SD06-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD06-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD06-0866
  • 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 SD06-0866 available by request