4130-1533 Screening compound: N1,N4-bis(2-oxothiolan-3-yl)benzene-1,4-dicarboxamide

4130-1533 Screening compound: N1,N4-bis(2-oxothiolan-3-yl)benzene-1,4-dicarboxamide
4130-1533 Screening compound: N1,N4-bis(2-oxothiolan-3-yl)benzene-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-1533
N1,N4-bis(2-oxothiolan-3-yl)benzene-1,4-dicarboxamide

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

4130-1533

Molecular Formula

C16H16N2O4S2 (C16 H16 N2 O4 S2)

Compound Name

N1,N4-bis(2-oxothiolan-3-yl)benzene-1,4-dicarboxamide

IUPAC name

N1N4-bis(2-oxothiolan-3-yl)benzene-14-dicarboxamide

SMILES

O=C(c(cc1)ccc1C(NC(CCS1)C1=O)=O)NC(CCS1)C1=O

InChI

InChI=1S/C16H16N2O4S2/c19-13(17-11-5-7-23-15(11)21)9-1-2-10(4-3-9)14(20)18-12-6-8-24-16(12)22/h1-4,11-12H,5-8H2,(H,17,19)(H,18,20)

InChI Key

FCATUVTYDNSUCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00784278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.339

Distribution Coefficient, logD

0.033

Water Solubility, LogSw

-1.92

Polar Surface Area

76.173

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-6.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

4130-1533 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4130-1533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-1533?
Check Price and Availability of 4130-1533, 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 4130-1533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-1533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-1533
  • 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 4130-1533 available by request