3365-2885 Screening compound: 4-{[2-(methoxycarbonyl)-3-thienyl]amino}-4-oxobutanoic acid

3365-2885 Screening compound: 4-{[2-(methoxycarbonyl)-3-thienyl]amino}-4-oxobutanoic acid
3365-2885 Screening compound: 4-{[2-(methoxycarbonyl)-3-thienyl]amino}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3365-2885
4-{[2-(methoxycarbonyl)-3-thienyl]amino}-4-oxobutanoic acid

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

3365-2885

Molecular Formula

C10H11NO5S (C10 H11 NO5 S)

Compound Name

4-{[2-(methoxycarbonyl)-3-thienyl]amino}-4-oxobutanoic acid

IUPAC name

3-{[2-(methoxycarbonyl)thiophen-3-yl]carbamoyl}propanoic acid

SMILES

COC(c(scc1)c1NC(CCC(O)=O)=O)=O

InChI

InChI=1S/C10H11NO5S/c1-16-10(15)9-6(4-5-17-9)11-7(12)2-3-8(13)14/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)

InChI Key

DIYRFCMOHPUMKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00096549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.208

Distribution Coefficient, logD

-2.741

Water Solubility, LogSw

-1.85

Polar Surface Area

73.266

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3365-2885 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3365-2885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3365-2885?
Check Price and Availability of 3365-2885, 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 3365-2885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3365-2885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3365-2885
  • 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 3365-2885 available by request