0310-0029 Screening compound: 3-methyl-8,13-dioxo-13,14-dihydro-8H-5-thia-14-azapentaphen-7-yl acetate

0310-0029 Screening compound: 3-methyl-8,13-dioxo-13,14-dihydro-8H-5-thia-14-azapentaphen-7-yl acetate
0310-0029 Screening compound: 3-methyl-8,13-dioxo-13,14-dihydro-8H-5-thia-14-azapentaphen-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0310-0029
3-methyl-8,13-dioxo-13,14-dihydro-8H-5-thia-14-azapentaphen-7-yl acetate

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

0310-0029

Molecular Formula

C23H15NO4S (C23 H15 NO4 S)

Compound Name

3-methyl-8,13-dioxo-13,14-dihydro-8H-5-thia-14-azapentaphen-7-yl acetate

IUPAC name

3-methyl-813-dioxo-1314-dihydro-8H-5-thia-14-azapentaphen-7-yl acetate

SMILES

CC(Oc(c(C(c1c2cccc1)=O)c1C2=O)cc2c1Nc(ccc(C)c1)c1S2)=O

InChI

InChI=1S/C23H15NO4S/c1-11-7-8-15-17(9-11)29-18-10-16(28-12(2)25)19-20(21(18)24-15)23(27)14-6-4-3-5-13(14)22(19)26/h3-10,24H,1-2H3

InChI Key

SPUPRFZMNKGCSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00985002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.393

Distribution Coefficient, logD

5.393

Water Solubility, LogSw

-5.51

Polar Surface Area

55.850

Acid Dissociation Constant (pKa)

18.55

Base Dissociation Constant (pKb)

-10.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

0310-0029 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 0310-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0310-0029?
Check Price and Availability of 0310-0029, 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 0310-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0310-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0310-0029
  • 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 0310-0029 available by request