6391-0212 Screening compound: methyl 2-{3,9-dioxo-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate

6391-0212 Screening compound: methyl 2-{3,9-dioxo-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate
6391-0212 Screening compound: methyl 2-{3,9-dioxo-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6391-0212
methyl 2-{3,9-dioxo-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate

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

6391-0212

Molecular Formula

C26H22N2O5S (C26 H22 N2 O5 S)

Compound Name

methyl 2-{3,9-dioxo-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

methyl 2-{39-dioxo-1-[4-(propan-2-yl)phenyl]-1H2H3H9H-chromeno[23-c]pyrrol-2-yl}-4-methyl-13-thiazole-5-carboxylate

SMILES

CC(C)c1ccc(C(C2=C(C3=O)Oc(cccc4)c4C2=O)N3c2nc(C)c(C(OC)=O)s2)cc1

InChI

InChI=1S/C26H22N2O5S/c1-13(2)15-9-11-16(12-10-15)20-19-21(29)17-7-5-6-8-18(17)33-22(19)24(30)28(20)26-27-14(3)23(34-26)25(31)32-4/h5-13,20H,1-4H3/t20-/m1/s1

InChI Key

HPYPUMNBWYFOFP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04447467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.469

Distribution Coefficient, logD

5.469

Water Solubility, LogSw

-5.61

Polar Surface Area

67.693

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

6391-0212 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6391-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0212?
Check Price and Availability of 6391-0212, 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 6391-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0212
  • 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 6391-0212 available by request