6391-0459 Screening compound: 1-(3-butoxyphenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6391-0459 Screening compound: 1-(3-butoxyphenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6391-0459 Screening compound: 1-(3-butoxyphenyl)-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 6391-0459
1-(3-butoxyphenyl)-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

6391-0459

Molecular Formula

C26H25N3O4S (C26 H25 N3 O4 S)

Compound Name

1-(3-butoxyphenyl)-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-butoxyphenyl)-2-[5-(propan-2-yl)-134-thiadiazol-2-yl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCCCOc1cccc(C(C2=C(C3=O)Oc(cccc4)c4C2=O)N3c2nnc(C(C)C)s2)c1

InChI

InChI=1S/C26H25N3O4S/c1-4-5-13-32-17-10-8-9-16(14-17)21-20-22(30)18-11-6-7-12-19(18)33-23(20)25(31)29(21)26-28-27-24(34-26)15(2)3/h6-12,14-15,21H,4-5,13H2,1-3H3/t21-/m1/s1

InChI Key

PZBHIJJBZOUYNA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06289545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.674

Distribution Coefficient, logD

5.674

Water Solubility, LogSw

-5.43

Polar Surface Area

66.858

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

6391-0459 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 6391-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0459?
Check Price and Availability of 6391-0459, 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 6391-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0459
  • 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 6391-0459 available by request