D111-0006 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methoxy-N~1~-(3,4,5-trimethoxybenzyl)benzamide

D111-0006 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methoxy-N~1~-(3,4,5-trimethoxybenzyl)benzamide
D111-0006 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methoxy-N~1~-(3,4,5-trimethoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D111-0006
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methoxy-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

D111-0006

Molecular Formula

C22H27NO7S (C22 H27 NO7 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H27NO7S/c1-27-18-7-5-16(6-8-18)22(24)23(17-9-10-31(25,26)14-17)13-15-11-19(28-2)21(30-4)20(12-15)29-3/h5-8,11-12,17H,9-10,13-14H2,1-4H3/t17-/m1/s1

InChI Key

PPIXPNLUTIJVSN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06647460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.603

Distribution Coefficient, logD

1.603

Water Solubility, LogSw

-2.41

Polar Surface Area

74.381

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with D111-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D111-0006?
Check Price and Availability of D111-0006, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D111-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D111-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D111-0006
  • 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 D111-0006 available by request