E245-0333 Screening compound: ETHYL 4-[(6-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)SULFONYL]PIPERAZINE-1-CARBOXYLATE

E245-0333 Screening compound: ETHYL 4-[(6-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)SULFONYL]PIPERAZINE-1-CARBOXYLATE
E245-0333 Screening compound: ETHYL 4-[(6-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)SULFONYL]PIPERAZINE-1-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound E245-0333
ETHYL 4-[(6-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)SULFONYL]PIPERAZINE-1-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

E245-0333

Molecular Formula

C16H21N3O6S (C16 H21 N3 O6 S)

Compound Name

ETHYL 4-[(6-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)SULFONYL]PIPERAZINE-1-CARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(N(CC1)CCN1S(c(cc1OC2)c(C)cc1NC2=O)(=O)=O)=O

InChI

InChI=1S/C16H21N3O6S/c1-3-24-16(21)18-4-6-19(7-5-18)26(22,23)14-9-13-12(8-11(14)2)17-15(20)10-25-13/h8-9H,3-7,10H2,1-2H3,(H,17,20)

InChI Key

UHPHMUBPBHMOSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.940

Distribution Coefficient, logD

0.939

Water Solubility, LogSw

-2.36

Polar Surface Area

88.000

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.00

E245-0333 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E245-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E245-0333?
Check Price and Availability of E245-0333, 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 E245-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E245-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E245-0333
  • 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 E245-0333 available by request