6391-0466 Screening compound: 1-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6391-0466 Screening compound: 1-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6391-0466 Screening compound: 1-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6391-0466
1-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

6391-0466

Molecular Formula

C27H25N3O5S (C27 H25 N3 O5 S)

Compound Name

1-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-2-[5-(propan-2-yl)-134-thiadiazol-2-yl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCOc(cc(C(C1=C(C2=O)Oc(cccc3)c3C1=O)N2c1nnc(C(C)C)s1)cc1)c1OCC=C

InChI

InChI=1S/C27H25N3O5S/c1-5-13-34-19-12-11-16(14-20(19)33-6-2)22-21-23(31)17-9-7-8-10-18(17)35-24(21)26(32)30(22)27-29-28-25(36-27)15(3)4/h5,7-12,14-15,22H,1,6,13H2,2-4H3/t22-/m1/s1

InChI Key

DPVVJZFECVCTBL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06289551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.795

Distribution Coefficient, logD

4.795

Water Solubility, LogSw

-4.64

Polar Surface Area

74.155

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

6391-0466 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6391-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0466?
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What is the minimum amount of 6391-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0466
  • 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 6391-0466 available by request