D111-0003 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-N~1~-(3,4,5-trimethoxybenzyl)benzamide

D111-0003 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-N~1~-(3,4,5-trimethoxybenzyl)benzamide
D111-0003 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-N~1~-(3,4,5-trimethoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D111-0003
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-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

D111-0003

Molecular Formula

C22H27NO6S (C22 H27 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(N(Cc(cc2OC)cc(OC)c2OC)C(CC2)CS2(=O)=O)=O)c1

InChI

InChI=1S/C22H27NO6S/c1-15-6-5-7-17(10-15)22(24)23(18-8-9-30(25,26)14-18)13-16-11-19(27-2)21(29-4)20(12-16)28-3/h5-7,10-12,18H,8-9,13-14H2,1-4H3/t18-/m1/s1

InChI Key

XBQVCCLCBKMZRS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06647468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.907

Distribution Coefficient, logD

1.907

Water Solubility, LogSw

-2.69

Polar Surface Area

66.838

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with D111-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D111-0003?
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What is the minimum amount of D111-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D111-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D111-0003
  • 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 D111-0003 available by request