G008-1235 Screening compound: 6-chloro-2-ethyl-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine

G008-1235 Screening compound: 6-chloro-2-ethyl-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine
G008-1235 Screening compound: 6-chloro-2-ethyl-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1235
6-chloro-2-ethyl-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine

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

G008-1235

Molecular Formula

C21H21ClN2O4S (C21 H21 ClN2 O4 S)

Compound Name

6-chloro-2-ethyl-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

6-chloro-2-ethyl-4-[2-methyl-5-(3-methyl-12-oxazol-5-yl)benzenesulfonyl]-34-dihydro-2H-14-benzoxazine

SMILES

CCC(C1)Oc(ccc(Cl)c2)c2N1S(c1c(C)ccc(-c2cc(C)no2)c1)(=O)=O

InChI

InChI=1S/C21H21ClN2O4S/c1-4-17-12-24(18-11-16(22)7-8-19(18)27-17)29(25,26)21-10-15(6-5-13(21)2)20-9-14(3)23-28-20/h5-11,17H,4,12H2,1-3H3/t17-/m1/s1

InChI Key

HYZPEODLQUDOAY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14974579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.935

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-4.99

Polar Surface Area

59.975

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

G008-1235 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G008-1235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1235?
Check Price and Availability of G008-1235, 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 G008-1235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1235
  • 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 G008-1235 available by request