D075-0214 Screening compound: methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

D075-0214 Screening compound: methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
D075-0214 Screening compound: methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D075-0214
methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

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

D075-0214

Molecular Formula

C20H20ClNO5 (C20 H20 ClNO5)

Compound Name

methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

IUPAC name

methyl 4-[2-(4-chloro-35-dimethylphenoxy)acetyl]-34-dihydro-2H-14-benzoxazine-2-carboxylate

SMILES

Cc1cc(OCC(N(C2)c(cccc3)c3OC2C(OC)=O)=O)cc(C)c1Cl

InChI

InChI=1S/C20H20ClNO5/c1-12-8-14(9-13(2)19(12)21)26-11-18(23)22-10-17(20(24)25-3)27-16-7-5-4-6-15(16)22/h4-9,17H,10-11H2,1-3H3/t17-/m1/s1

InChI Key

ZJECGUAIFNIYTM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06651310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.150

Distribution Coefficient, logD

4.150

Water Solubility, LogSw

-4.59

Polar Surface Area

50.697

Acid Dissociation Constant (pKa)

18.58

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D075-0214 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D075-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D075-0214?
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What is the minimum amount of D075-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D075-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D075-0214
  • 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 D075-0214 available by request