G069-0802 Screening compound: 1-methyl-5-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-2,3-dihydro-1H-indol-2-one

G069-0802 Screening compound: 1-methyl-5-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-2,3-dihydro-1H-indol-2-one
G069-0802 Screening compound: 1-methyl-5-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G069-0802
1-methyl-5-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-2,3-dihydro-1H-indol-2-one

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

G069-0802

Molecular Formula

C22H24N4O6S (C22 H24 N4 O6 S)

Compound Name

1-methyl-5-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-2,3-dihydro-1H-indol-2-one

IUPAC name

1-methyl-5-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-23-dihydro-1H-indol-2-one

SMILES

CN(C(C1)=O)c(cc2)c1cc2S(CCC(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)=O)(=O)=O

InChI

InChI=1S/C22H24N4O6S/c1-23-20-7-6-19(14-16(20)15-22(23)28)33(31,32)13-8-21(27)25-11-9-24(10-12-25)17-2-4-18(5-3-17)26(29)30/h2-7,14H,8-13,15H2,1H3

InChI Key

ATPYAQSNTMFBGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.278

Distribution Coefficient, logD

1.278

Water Solubility, LogSw

-2.38

Polar Surface Area

97.821

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G069-0802 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G069-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G069-0802?
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What is the minimum amount of G069-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G069-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G069-0802
  • 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 G069-0802 available by request