D076-0055 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxy-N~1~-(3-methoxybenzyl)benzamide

D076-0055 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxy-N~1~-(3-methoxybenzyl)benzamide
D076-0055 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxy-N~1~-(3-methoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0055
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxy-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

D076-0055

Molecular Formula

C23H29NO5S (C23 H29 NO5 S)

Compound Name

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

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-4-(2-methylpropoxy)benzamide

SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-17(2)15-29-21-9-7-19(8-10-21)23(25)24(20-11-12-30(26,27)16-20)14-18-5-4-6-22(13-18)28-3/h4-10,13,17,20H,11-12,14-16H2,1-3H3/t20-/m1/s1

InChI Key

SSRASTZNNVPGPF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06647905

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

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.297

Distribution Coefficient, logD

3.297

Water Solubility, LogSw

-3.69

Polar Surface Area

58.903

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-5.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

D076-0055 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D076-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0055?
Check Price and Availability of D076-0055, 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 D076-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0055
  • 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 D076-0055 available by request