6872-2654 Screening compound: 1-(4-butoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-2654 Screening compound: 1-(4-butoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-2654 Screening compound: 1-(4-butoxyphenyl)-2-(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 6872-2654
1-(4-butoxyphenyl)-2-(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

6872-2654

Molecular Formula

C23H19N3O4S (C23 H19 N3 O4 S)

Compound Name

1-(4-butoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(4-butoxyphenyl)-2-(134-thiadiazol-2-yl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCCCOc1ccc(C(C2=C(C3=O)Oc(cccc4)c4C2=O)N3c2nncs2)cc1

InChI

InChI=1S/C23H19N3O4S/c1-2-3-12-29-15-10-8-14(9-11-15)19-18-20(27)16-6-4-5-7-17(16)30-21(18)22(28)26(19)23-25-24-13-31-23/h4-11,13,19H,2-3,12H2,1H3/t19-/m1/s1

InChI Key

ZMLUBELUVCAQFK-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06643214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.44

Polar Surface Area

66.889

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-9.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

6872-2654 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 6872-2654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-2654?
Check Price and Availability of 6872-2654, 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 6872-2654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-2654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-2654
  • 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 6872-2654 available by request