Y070-3926 Screening compound: methyl 4-{2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

Y070-3926 Screening compound: methyl 4-{2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate
Y070-3926 Screening compound: methyl 4-{2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3926
methyl 4-{2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

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

Y070-3926

Molecular Formula

C25H21N3O5S (C25 H21 N3 O5 S)

Compound Name

methyl 4-{2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

IUPAC name

methyl 4-{2-[5-(2-methylpropyl)-134-thiadiazol-2-yl]-39-dioxo-1H2H3H9H-chromeno[23-c]pyrrol-1-yl}benzoate

SMILES

CC(C)Cc1nnc(N(C(C2=C3Oc(cccc4)c4C2=O)c(cc2)ccc2C(OC)=O)C3=O)s1

InChI

InChI=1S/C25H21N3O5S/c1-13(2)12-18-26-27-25(34-18)28-20(14-8-10-15(11-9-14)24(31)32-3)19-21(29)16-6-4-5-7-17(16)33-22(19)23(28)30/h4-11,13,20H,12H2,1-3H3/t20-/m1/s1

InChI Key

MAJYCTSFORREIB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04192985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.757

Distribution Coefficient, logD

4.756

Water Solubility, LogSw

-4.67

Polar Surface Area

81.110

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-8.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

Y070-3926 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y070-3926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3926?
Check Price and Availability of Y070-3926, 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 Y070-3926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3926
  • 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 Y070-3926 available by request