4872-0535 Screening compound: 4-(2-chloro-5-{[5-chloro-4-(morpholin-4-yl)-3-nitrothiophen-2-yl]sulfanyl}-4-nitrothiophen-3-yl)morpholine

4872-0535 Screening compound: 4-(2-chloro-5-{[5-chloro-4-(morpholin-4-yl)-3-nitrothiophen-2-yl]sulfanyl}-4-nitrothiophen-3-yl)morpholine
4872-0535 Screening compound: 4-(2-chloro-5-{[5-chloro-4-(morpholin-4-yl)-3-nitrothiophen-2-yl]sulfanyl}-4-nitrothiophen-3-yl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0535
4-(2-chloro-5-{[5-chloro-4-(morpholin-4-yl)-3-nitrothiophen-2-yl]sulfanyl}-4-nitrothiophen-3-yl)morpholine

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

4872-0535

Molecular Formula

C16H16Cl2N4O6S3 (C16 H16 Cl2 N4 O6 S3)

Compound Name

4-(2-chloro-5-{[5-chloro-4-(morpholin-4-yl)-3-nitrothiophen-2-yl]sulfanyl}-4-nitrothiophen-3-yl)morpholine

IUPAC name

4-(2-chloro-5-{[5-chloro-4-(morpholin-4-yl)-3-nitrothiophen-2-yl]sulfanyl}-4-nitrothiophen-3-yl)morpholine

SMILES

[O-][N+](c1c(Sc(sc(Cl)c2N3CCOCC3)c2[N+]([O-])=O)sc(Cl)c1N1CCOCC1)=O

InChI

InChI=1S/C16H16Cl2N4O6S3/c17-13-9(19-1-5-27-6-2-19)11(21(23)24)15(29-13)31-16-12(22(25)26)10(14(18)30-16)20-3-7-28-8-4-20/h1-8H2

InChI Key

FRCIBYGMARBKOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.912

Distribution Coefficient, logD

4.912

Water Solubility, LogSw

-5.03

Polar Surface Area

89.081

Acid Dissociation Constant (pKa)

28.60

Base Dissociation Constant (pKb)

-5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4872-0535 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4872-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0535?
Check Price and Availability of 4872-0535, 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 4872-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0535
  • 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 4872-0535 available by request