Y070-4853 Screening compound: 1-(2-fluorophenyl)-7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

Y070-4853 Screening compound: 1-(2-fluorophenyl)-7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
Y070-4853 Screening compound: 1-(2-fluorophenyl)-7-methyl-2-[5-(2-methylpropyl)-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 Y070-4853
1-(2-fluorophenyl)-7-methyl-2-[5-(2-methylpropyl)-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

Y070-4853

Molecular Formula

C24H20FN3O3S (C24 H20 FN3 O3 S)

Compound Name

1-(2-fluorophenyl)-7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(2-fluorophenyl)-7-methyl-2-[5-(2-methylpropyl)-134-thiadiazol-2-yl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(C)Cc1nnc(N(C(C2=C3Oc(ccc(C)c4)c4C2=O)c(cccc2)c2F)C3=O)s1

InChI

InChI=1S/C24H20FN3O3S/c1-12(2)10-18-26-27-24(32-18)28-20(14-6-4-5-7-16(14)25)19-21(29)15-11-13(3)8-9-17(15)31-22(19)23(28)30/h4-9,11-12,20H,10H2,1-3H3/t20-/m1/s1

InChI Key

BGJNBFGUMUSOBB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04172857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.261

Distribution Coefficient, logD

5.261

Water Solubility, LogSw

-5.07

Polar Surface Area

59.936

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-8.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y070-4853 in Drug Discovery

Included in Screening Libraries

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 Y070-4853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4853?
Check Price and Availability of Y070-4853, 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 Y070-4853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4853
  • 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 Y070-4853 available by request