G403-2681 Screening compound: 6-chloro-2-ethyl-4-{[1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine

G403-2681 Screening compound: 6-chloro-2-ethyl-4-{[1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine
G403-2681 Screening compound: 6-chloro-2-ethyl-4-{[1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G403-2681
6-chloro-2-ethyl-4-{[1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-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

G403-2681

Molecular Formula

C24H32ClN3O4S (C24 H32 ClN3 O4 S)

Compound Name

6-chloro-2-ethyl-4-{[1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

6-chloro-2-ethyl-4-{[125-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-34-dihydro-2H-14-benzoxazine

SMILES

CCC(C1)Oc(ccc(Cl)c2)c2N1S(c1c(C)n(C)c(C)c1C(N1CCC(C)CC1)=O)(=O)=O

InChI

InChI=1S/C24H32ClN3O4S/c1-6-19-14-28(20-13-18(25)7-8-21(20)32-19)33(30,31)23-17(4)26(5)16(3)22(23)24(29)27-11-9-15(2)10-12-27/h7-8,13,15,19H,6,9-12,14H2,1-5H3/t19-/m1/s1

InChI Key

IEPGRCYEKSDUPA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD15009551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.576

Distribution Coefficient, logD

3.576

Water Solubility, LogSw

-4.45

Polar Surface Area

58.061

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

G403-2681 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G403-2681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G403-2681?
Check Price and Availability of G403-2681, 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 G403-2681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G403-2681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G403-2681
  • 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 G403-2681 available by request