G008-3181 Screening compound: 6-chloro-2-ethyl-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine

G008-3181 Screening compound: 6-chloro-2-ethyl-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine
G008-3181 Screening compound: 6-chloro-2-ethyl-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-3181
6-chloro-2-ethyl-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-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

G008-3181

Molecular Formula

C18H14ClF3N2O4S2 (C18 H14 ClF3 N2 O4 S2)

Compound Name

6-chloro-2-ethyl-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

6-chloro-2-ethyl-4-({5-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophen-2-yl}sulfonyl)-34-dihydro-2H-14-benzoxazine

SMILES

CCC(C1)Oc(ccc(Cl)c2)c2N1S(c1ccc(-c2noc(C(F)(F)F)c2)s1)(=O)=O

InChI

InChI=1S/C18H14ClF3N2O4S2/c1-2-11-9-24(13-7-10(19)3-4-14(13)27-11)30(25,26)17-6-5-15(29-17)12-8-16(28-23-12)18(20,21)22/h3-8,11H,2,9H2,1H3/t11-/m1/s1

InChI Key

IMFUMKMCKKNKTM-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14975671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.364

Distribution Coefficient, logD

5.364

Water Solubility, LogSw

-5.90

Polar Surface Area

61.187

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-6.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

G008-3181 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 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
  • 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 G008-3181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-3181?
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What is the minimum amount of G008-3181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-3181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-3181
  • 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 G008-3181 available by request