6623-1348 Screening compound: 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

6623-1348 Screening compound: 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
6623-1348 Screening compound: 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1348
2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

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

6623-1348

Molecular Formula

C21H17N7O3S2 (C21 H17 N7 O3 S2)

Compound Name

2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

IUPAC name

2-({5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(6-nitro-13-benzothiazol-2-yl)butanamide

SMILES

CCC(C(Nc1nc(ccc([N+]([O-])=O)c2)c2s1)=O)Sc1nnc(c(cccc2)c2n2C)c2n1

InChI

InChI=1S/C21H17N7O3S2/c1-3-15(19(29)24-20-22-13-9-8-11(28(30)31)10-16(13)33-20)32-21-23-18-17(25-26-21)12-6-4-5-7-14(12)27(18)2/h4-10,15H,3H2,1-2H3,(H,22,24,29)/t15-/m0/s1

InChI Key

JLRFEZARFNWPLA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03487928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.791

Distribution Coefficient, logD

4.791

Water Solubility, LogSw

-4.83

Polar Surface Area

100.294

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 6623-1348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1348?
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What is the minimum amount of 6623-1348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1348
  • 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 6623-1348 available by request