Y070-4913 Screening compound: 7-fluoro-1-(4-fluorophenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

Y070-4913 Screening compound: 7-fluoro-1-(4-fluorophenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
Y070-4913 Screening compound: 7-fluoro-1-(4-fluorophenyl)-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 Y070-4913
7-fluoro-1-(4-fluorophenyl)-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

Y070-4913

Molecular Formula

C23H17F2N3O3S (C23 H17 F2 N3 O3 S)

Compound Name

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

IUPAC name

7-fluoro-1-(4-fluorophenyl)-2-[5-(2-methylpropyl)-134-thiadiazol-2-yl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(C)Cc1nnc(N(C(C2=C3Oc(ccc(F)c4)c4C2=O)c(cc2)ccc2F)C3=O)s1

InChI

InChI=1S/C23H17F2N3O3S/c1-11(2)9-17-26-27-23(32-17)28-19(12-3-5-13(24)6-4-12)18-20(29)15-10-14(25)7-8-16(15)31-21(18)22(28)30/h3-8,10-11,19H,9H2,1-2H3/t19-/m1/s1

InChI Key

CGIGCYQVJOHNPV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04194343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.47

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

4.922

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-4.73

Polar Surface Area

59.936

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-8.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

Y070-4913 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y070-4913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4913?
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What is the minimum amount of Y070-4913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4913
  • 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 Y070-4913 available by request