E204-0251 Screening compound: 4-acetyl-N-(2-bromophenyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

E204-0251 Screening compound: 4-acetyl-N-(2-bromophenyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
E204-0251 Screening compound: 4-acetyl-N-(2-bromophenyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E204-0251
4-acetyl-N-(2-bromophenyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

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

E204-0251

Molecular Formula

C19H21BrN2O4S (C19 H21 BrN2 O4 S)

Compound Name

4-acetyl-N-(2-bromophenyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

4-acetyl-N-(2-bromophenyl)-N-propyl-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

CCCN(c(cccc1)c1Br)S(c(cc1)cc2c1OCCN2C(C)=O)(=O)=O

InChI

InChI=1S/C19H21BrN2O4S/c1-3-10-22(17-7-5-4-6-16(17)20)27(24,25)15-8-9-19-18(13-15)21(14(2)23)11-12-26-19/h4-9,13H,3,10-12H2,1-2H3

InChI Key

HMMDKENHYWMDNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.36

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

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-3.87

Polar Surface Area

55.745

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E204-0251 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E204-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E204-0251?
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What is the minimum amount of E204-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E204-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E204-0251
  • 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 E204-0251 available by request