D111-0050 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxy-N~1~-(3,4,5-trimethoxybenzyl)benzamide

D111-0050 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxy-N~1~-(3,4,5-trimethoxybenzyl)benzamide
D111-0050 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxy-N~1~-(3,4,5-trimethoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D111-0050
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxy-N~1~-(3,4,5-trimethoxybenzyl)benzamide

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

D111-0050

Molecular Formula

C24H31NO7S (C24 H31 NO7 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxy-N~1~-(3,4,5-trimethoxybenzyl)benzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-4-(propan-2-yloxy)-N-[(345-trimethoxyphenyl)methyl]benzamide

SMILES

CC(C)Oc(cc1)ccc1C(N(Cc(cc1OC)cc(OC)c1OC)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C24H31NO7S/c1-16(2)32-20-8-6-18(7-9-20)24(26)25(19-10-11-33(27,28)15-19)14-17-12-21(29-3)23(31-5)22(13-17)30-4/h6-9,12-13,16,19H,10-11,14-15H2,1-5H3/t19-/m1/s1

InChI Key

NIRMBEDPDVPKTO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06647471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.287

Distribution Coefficient, logD

2.287

Water Solubility, LogSw

-3.02

Polar Surface Area

73.640

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

D111-0050 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D111-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D111-0050?
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What is the minimum amount of D111-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D111-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D111-0050
  • 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 D111-0050 available by request