D051-0145 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(5-methyl-2-furyl)methyl]-3-nitrobenzamide

D051-0145 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(5-methyl-2-furyl)methyl]-3-nitrobenzamide
D051-0145 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(5-methyl-2-furyl)methyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0145
4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(5-methyl-2-furyl)methyl]-3-nitrobenzamide

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

D051-0145

Molecular Formula

C17H17ClN2O6S (C17 H17 ClN2 O6 S)

Compound Name

4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(5-methyl-2-furyl)methyl]-3-nitrobenzamide

IUPAC name

4-chloro-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzamide

SMILES

Cc1ccc(CN(C(CC2)CS2(=O)=O)C(c(cc2)cc([N+]([O-])=O)c2Cl)=O)o1

InChI

InChI=1S/C17H17ClN2O6S/c1-11-2-4-14(26-11)9-19(13-6-7-27(24,25)10-13)17(21)12-3-5-15(18)16(8-12)20(22)23/h2-5,8,13H,6-7,9-10H2,1H3/t13-/m0/s1

InChI Key

ROXSGUFADWIMKC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06651316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.85

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.010

Distribution Coefficient, logD

2.010

Water Solubility, LogSw

-2.97

Polar Surface Area

84.203

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D051-0145 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D051-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0145?
Check Price and Availability of D051-0145, 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 D051-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0145
  • 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 D051-0145 available by request