D075-0153 Screening compound: methyl 4-(4-tert-butylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

D075-0153 Screening compound: methyl 4-(4-tert-butylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
D075-0153 Screening compound: methyl 4-(4-tert-butylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D075-0153
methyl 4-(4-tert-butylbenzoyl)-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

D075-0153

Molecular Formula

C21H23NO4 (C21 H23 NO4)

Compound Name

methyl 4-(4-tert-butylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

IUPAC name

methyl 4-(4-tert-butylbenzoyl)-34-dihydro-2H-14-benzoxazine-2-carboxylate

SMILES

CC(C)(C)c(cc1)ccc1C(N(C1)c(cccc2)c2OC1C(OC)=O)=O

InChI

InChI=1S/C21H23NO4/c1-21(2,3)15-11-9-14(10-12-15)19(23)22-13-18(20(24)25-4)26-17-8-6-5-7-16(17)22/h5-12,18H,13H2,1-4H3/t18-/m1/s1

InChI Key

KGRYOKKEZLDLQU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06645243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.42

Polar Surface Area

43.726

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

-5.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D075-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D075-0153?
Check Price and Availability of D075-0153, 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 D075-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D075-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D075-0153
  • 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 D075-0153 available by request