D051-0185 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-isopropyl-5-methylphenoxy)-N~1~-[(5-methyl-2-furyl)methyl]acetamide

D051-0185 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-isopropyl-5-methylphenoxy)-N~1~-[(5-methyl-2-furyl)methyl]acetamide
D051-0185 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-isopropyl-5-methylphenoxy)-N~1~-[(5-methyl-2-furyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0185
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-isopropyl-5-methylphenoxy)-N~1~-[(5-methyl-2-furyl)methyl]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

D051-0185

Molecular Formula

C22H29NO5S (C22 H29 NO5 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-isopropyl-5-methylphenoxy)-N~1~-[(5-methyl-2-furyl)methyl]acetamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide

SMILES

CC(C)c(ccc(C)c1)c1OCC(N(Cc1ccc(C)o1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C22H29NO5S/c1-15(2)20-8-5-16(3)11-21(20)27-13-22(24)23(12-19-7-6-17(4)28-19)18-9-10-29(25,26)14-18/h5-8,11,15,18H,9-10,12-14H2,1-4H3/t18-/m1/s1

InChI Key

RBJFEGYJHLXGFQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD07426596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.61

Polar Surface Area

58.181

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-4.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D051-0185 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 D051-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0185?
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What is the minimum amount of D051-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0185
  • 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 D051-0185 available by request