6391-0393 Screening compound: methyl 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate

6391-0393 Screening compound: methyl 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate
6391-0393 Screening compound: methyl 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6391-0393
methyl 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate

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

6391-0393

Molecular Formula

C22H15N3O5S (C22 H15 N3 O5 S)

Compound Name

methyl 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate

IUPAC name

methyl 4-[2-(5-methyl-134-thiadiazol-2-yl)-39-dioxo-1H2H3H9H-chromeno[23-c]pyrrol-1-yl]benzoate

SMILES

Cc1nnc(N(C(C2=C3Oc(cccc4)c4C2=O)c(cc2)ccc2C(OC)=O)C3=O)s1

InChI

InChI=1S/C22H15N3O5S/c1-11-23-24-22(31-11)25-17(12-7-9-13(10-8-12)21(28)29-2)16-18(26)14-5-3-4-6-15(14)30-19(16)20(25)27/h3-10,17H,1-2H3/t17-/m1/s1

InChI Key

VMWSMBGQJUBCOC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06289505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.56

Polar Surface Area

80.421

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-8.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

6391-0393 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6391-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0393?
Check Price and Availability of 6391-0393, 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 6391-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0393
  • 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 6391-0393 available by request