G373-2521 Screening compound: N-[(4-METHYLPHENYL)METHYL]-2-[7-(PYRROLIDINE-1-SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL]ACETAMIDE

G373-2521 Screening compound: N-[(4-METHYLPHENYL)METHYL]-2-[7-(PYRROLIDINE-1-SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL]ACETAMIDE
G373-2521 Screening compound: N-[(4-METHYLPHENYL)METHYL]-2-[7-(PYRROLIDINE-1-SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G373-2521
N-[(4-METHYLPHENYL)METHYL]-2-[7-(PYRROLIDINE-1-SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL]ACETAMIDE

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

G373-2521

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

N-[(4-METHYLPHENYL)METHYL]-2-[7-(PYRROLIDINE-1-SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL]ACETAMIDE

IUPAC name

N-[(4-methylphenyl)methyl]-2-[7-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzoxazin-3-yl]acetamide

SMILES

Cc1ccc(CNC(CC2Nc(ccc(S(N3CCCC3)(=O)=O)c3)c3OC2)=O)cc1

InChI

InChI=1S/C22H27N3O4S/c1-16-4-6-17(7-5-16)14-23-22(26)12-18-15-29-21-13-19(8-9-20(21)24-18)30(27,28)25-10-2-3-11-25/h4-9,13,18,24H,2-3,10-12,14-15H2,1H3,(H,23,26)/t18-/m1/s1

InChI Key

UEHMGMSOMUSFNU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15006215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.018

Distribution Coefficient, logD

3.018

Water Solubility, LogSw

-3.46

Polar Surface Area

76.980

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

G373-2521 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G373-2521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G373-2521?
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What is the minimum amount of G373-2521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G373-2521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G373-2521
  • 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 G373-2521 available by request