D076-0046 Screening compound: 4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)benzamide

D076-0046 Screening compound: 4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)benzamide
D076-0046 Screening compound: 4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0046
4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)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

D076-0046

Molecular Formula

C23H29NO5S (C23 H29 NO5 S)

Compound Name

4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)benzamide

IUPAC name

4-butoxy-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide

SMILES

CCCCOc(cc1)ccc1C(N(Cc1cc(OC)ccc1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C23H29NO5S/c1-3-4-13-29-21-10-8-19(9-11-21)23(25)24(20-12-14-30(26,27)17-20)16-18-6-5-7-22(15-18)28-2/h5-11,15,20H,3-4,12-14,16-17H2,1-2H3/t20-/m1/s1

InChI Key

WPLHFPSWZGSZGW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06647903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-3.71

Polar Surface Area

58.821

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-5.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with D076-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0046?
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What is the minimum amount of D076-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0046
  • 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 D076-0046 available by request