D075-0211 Screening compound: methyl 4-[2-(3,4-dimethylphenoxy)propanoyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

D075-0211 Screening compound: methyl 4-[2-(3,4-dimethylphenoxy)propanoyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
D075-0211 Screening compound: methyl 4-[2-(3,4-dimethylphenoxy)propanoyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D075-0211
methyl 4-[2-(3,4-dimethylphenoxy)propanoyl]-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

D075-0211

Molecular Formula

C21H23NO5 (C21 H23 NO5)

Compound Name

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

IUPAC name

methyl 4-[2-(34-dimethylphenoxy)propanoyl]-34-dihydro-2H-14-benzoxazine-2-carboxylate

SMILES

CC(C(N(C1)c(cccc2)c2OC1C(OC)=O)=O)Oc1cc(C)c(C)cc1

InChI

InChI=1S/C21H23NO5/c1-13-9-10-16(11-14(13)2)26-15(3)20(23)22-12-19(21(24)25-4)27-18-8-6-5-7-17(18)22/h5-11,15,19H,12H2,1-4H3

InChI Key

AHMFHTFBOIXSPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06651349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.42

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

3.944

Distribution Coefficient, logD

3.944

Water Solubility, LogSw

-4.04

Polar Surface Area

50.515

Acid Dissociation Constant (pKa)

18.58

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D075-0211 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D075-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D075-0211?
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What is the minimum amount of D075-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D075-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D075-0211
  • 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 D075-0211 available by request