Y020-5991 Screening compound: 6-chloro-3-(3-chloro-2-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione

Y020-5991 Screening compound: 6-chloro-3-(3-chloro-2-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione
Y020-5991 Screening compound: 6-chloro-3-(3-chloro-2-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5991
6-chloro-3-(3-chloro-2-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-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

Y020-5991

Molecular Formula

C15H9Cl2NO3 (C15 H9 Cl2 NO3)

Compound Name

6-chloro-3-(3-chloro-2-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione

IUPAC name

6-chloro-3-(3-chloro-2-methylphenyl)-34-dihydro-2H-13-benzoxazine-24-dione

SMILES

Cc(c(N(C(c(cc(cc1)Cl)c1O1)=O)C1=O)ccc1)c1Cl

InChI

InChI=1S/C15H9Cl2NO3/c1-8-11(17)3-2-4-12(8)18-14(19)10-7-9(16)5-6-13(10)21-15(18)20/h2-7H,1H3

InChI Key

XYCDPMMFNMEJFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03872047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-4.40

Polar Surface Area

35.573

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

Y020-5991 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-5991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5991?
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What is the minimum amount of Y020-5991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5991
  • 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 Y020-5991 available by request