8399-0699 Screening compound: 4-methyl-N-{5-[3-(morpholin-4-yl)propyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzene-1-sulfonamide

8399-0699 Screening compound: 4-methyl-N-{5-[3-(morpholin-4-yl)propyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzene-1-sulfonamide
8399-0699 Screening compound: 4-methyl-N-{5-[3-(morpholin-4-yl)propyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8399-0699
4-methyl-N-{5-[3-(morpholin-4-yl)propyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzene-1-sulfonamide

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

8399-0699

Molecular Formula

C17H27N5O3S (C17 H27 N5 O3 S)

Compound Name

4-methyl-N-{5-[3-(morpholin-4-yl)propyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzene-1-sulfonamide

IUPAC name

4-methyl-N-{5-[3-(morpholin-4-yl)propyl]-1456-tetrahydro-135-triazin-2-yl}benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NC1=NCN(CCCN2CCOCC2)CN1)(=O)=O

InChI

InChI=1S/C17H27N5O3S/c1-15-3-5-16(6-4-15)26(23,24)20-17-18-13-22(14-19-17)8-2-7-21-9-11-25-12-10-21/h3-6H,2,7-14H2,1H3,(H2,18,19,20)

InChI Key

RPDUENAVTJQMGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.127

Distribution Coefficient, logD

1.127

Water Solubility, LogSw

-2.45

Polar Surface Area

76.651

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

8399-0699 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8399-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8399-0699?
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What is the minimum amount of 8399-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8399-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8399-0699
  • 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 8399-0699 available by request