D470-2416 Screening compound: N~1~-[4-({(3R,4S)-4-[4-(3-methylphenyl)piperazino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}sulfonyl)phenyl]acetamide

D470-2416 Screening compound: N~1~-[4-({(3R,4S)-4-[4-(3-methylphenyl)piperazino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}sulfonyl)phenyl]acetamide
D470-2416 Screening compound: N~1~-[4-({(3R,4S)-4-[4-(3-methylphenyl)piperazino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2416
N~1~-[4-({(3R,4S)-4-[4-(3-methylphenyl)piperazino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}sulfonyl)phenyl]acetamide

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

D470-2416

Molecular Formula

C23H29N3O5S2 (C23 H29 N3 O5 S2)

Compound Name

N~1~-[4-({(3R,4S)-4-[4-(3-methylphenyl)piperazino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}sulfonyl)phenyl]acetamide

IUPAC name

N-(4-{[(3R4S)-4-[4-(3-methylphenyl)piperazin-1-yl]-11-dioxo-1lambda6-thiolan-3-yl]sulfonyl}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1S([C@@H](CS(C1)(=O)=O)[C@H]1N(CC1)CCN1c1cc(C)ccc1)(=O)=O)=O

InChI

InChI=1S/C23H29N3O5S2/c1-17-4-3-5-20(14-17)25-10-12-26(13-11-25)22-15-32(28,29)16-23(22)33(30,31)21-8-6-19(7-9-21)24-18(2)27/h3-9,14,22-23H,10-13,15-16H2,1-2H3,(H,24,27)/t22-,23-/m1/s1

InChI Key

RRMKDIBKPBYWCO-DHIUTWEWSA-N

MDL Number (MFCD)

MFCD10043084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.358

Distribution Coefficient, logD

1.358

Water Solubility, LogSw

-2.35

Polar Surface Area

87.450

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

D470-2416 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D470-2416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2416?
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What is the minimum amount of D470-2416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2416
  • 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 D470-2416 available by request