G347-0700F Screening compound: 2-(2-methylbenzyl)-5-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1lambda~6~,2,5-thiadiazolane-1,1-dione

G347-0700F Screening compound: 2-(2-methylbenzyl)-5-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1lambda~6~,2,5-thiadiazolane-1,1-dione
G347-0700F Screening compound: 2-(2-methylbenzyl)-5-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1lambda~6~,2,5-thiadiazolane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G347-0700F
2-(2-methylbenzyl)-5-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1lambda~6~,2,5-thiadiazolane-1,1-dione

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

G347-0700F

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

2-(2-methylbenzyl)-5-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1lambda~6~,2,5-thiadiazolane-1,1-dione

IUPAC name

2-[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]-5-[(2-methylphenyl)methyl]-1lambda625-thiadiazolidine-11-dione

SMILES

Cc(cc1)cc2c1OCCN2C(CN(CCN1Cc2c(C)cccc2)S1(=O)=O)=O

InChI

InChI=1S/C21H25N3O4S/c1-16-7-8-20-19(13-16)24(11-12-28-20)21(25)15-23-10-9-22(29(23,26)27)14-18-6-4-3-5-17(18)2/h3-8,13H,9-12,14-15H2,1-2H3

InChI Key

CYLSTHLALFXUCQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.884

Distribution Coefficient, logD

2.884

Water Solubility, LogSw

-3.22

Polar Surface Area

59.753

Acid Dissociation Constant (pKa)

23.42

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with G347-0700F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G347-0700F?
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What is the minimum amount of G347-0700F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G347-0700F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G347-0700F
  • 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 G347-0700F available by request