6391-0321 Screening compound: prop-2-en-1-yl 2-[3,9-dioxo-1-(4-propoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

6391-0321 Screening compound: prop-2-en-1-yl 2-[3,9-dioxo-1-(4-propoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
6391-0321 Screening compound: prop-2-en-1-yl 2-[3,9-dioxo-1-(4-propoxyphenyl)-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 6391-0321
prop-2-en-1-yl 2-[3,9-dioxo-1-(4-propoxyphenyl)-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

6391-0321

Molecular Formula

C28H24N2O6S (C28 H24 N2 O6 S)

Compound Name

prop-2-en-1-yl 2-[3,9-dioxo-1-(4-propoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

prop-2-en-1-yl 2-[39-dioxo-1-(4-propoxyphenyl)-1H2H3H9H-chromeno[23-c]pyrrol-2-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCCOc1ccc(C(C2=C(C3=O)Oc(cccc4)c4C2=O)N3c2nc(C)c(C(OCC=C)=O)s2)cc1

InChI

InChI=1S/C28H24N2O6S/c1-4-14-34-18-12-10-17(11-13-18)22-21-23(31)19-8-6-7-9-20(19)36-24(21)26(32)30(22)28-29-16(3)25(37-28)27(33)35-15-5-2/h5-13,22H,2,4,14-15H2,1,3H3/t22-/m1/s1

InChI Key

UNRJWJCQEJVOOK-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06289459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.514

Distribution Coefficient, logD

5.514

Water Solubility, LogSw

-5.65

Polar Surface Area

74.984

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-6.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

6391-0321 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 6391-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0321?
Check Price and Availability of 6391-0321, 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 6391-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0321
  • 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 6391-0321 available by request