3338-5586 Screening compound: 4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-N-(3-methyl-6-nitro-2,3-dihydro-1,3-benzothiazol-2-yl)benzamide

3338-5586 Screening compound: 4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-N-(3-methyl-6-nitro-2,3-dihydro-1,3-benzothiazol-2-yl)benzamide
3338-5586 Screening compound: 4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-N-(3-methyl-6-nitro-2,3-dihydro-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-5586
4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-N-(3-methyl-6-nitro-2,3-dihydro-1,3-benzothiazol-2-yl)benzamide

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

3338-5586

Molecular Formula

C23H20N4O5S2 (C23 H20 N4 O5 S2)

Compound Name

4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-N-(3-methyl-6-nitro-2,3-dihydro-1,3-benzothiazol-2-yl)benzamide

IUPAC name

4-(23-dihydro-1H-indole-1-sulfonyl)-N-(3-methyl-6-nitro-23-dihydro-13-benzothiazol-2-yl)benzamide

SMILES

CN1c(ccc([N+]([O-])=O)c2)c2SC1NC(c(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C23H20N4O5S2/c1-25-20-11-8-17(27(29)30)14-21(20)33-23(25)24-22(28)16-6-9-18(10-7-16)34(31,32)26-13-12-15-4-2-3-5-19(15)26/h2-11,14,23H,12-13H2,1H3,(H,24,28)/t23-/m0/s1

InChI Key

JGLYBDZZEPNPNC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02927216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.537

Distribution Coefficient, logD

3.536

Water Solubility, LogSw

-4.04

Polar Surface Area

89.092

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.39

3338-5586 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 3338-5586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-5586?
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What is the minimum amount of 3338-5586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-5586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-5586
  • 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 3338-5586 available by request