3391-6688 Screening compound: N,N-diethyl-1-({4-[(4-methoxyphenyl)amino]-6-[(3-nitrophenyl)amino]-1,3,5-triazin-2-yl}sulfanyl)methanethioamide

3391-6688 Screening compound: N,N-diethyl-1-({4-[(4-methoxyphenyl)amino]-6-[(3-nitrophenyl)amino]-1,3,5-triazin-2-yl}sulfanyl)methanethioamide
3391-6688 Screening compound: N,N-diethyl-1-({4-[(4-methoxyphenyl)amino]-6-[(3-nitrophenyl)amino]-1,3,5-triazin-2-yl}sulfanyl)methanethioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3391-6688
N,N-diethyl-1-({4-[(4-methoxyphenyl)amino]-6-[(3-nitrophenyl)amino]-1,3,5-triazin-2-yl}sulfanyl)methanethioamide

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

3391-6688

Molecular Formula

C21H23N7O3S2 (C21 H23 N7 O3 S2)

Compound Name

N,N-diethyl-1-({4-[(4-methoxyphenyl)amino]-6-[(3-nitrophenyl)amino]-1,3,5-triazin-2-yl}sulfanyl)methanethioamide

IUPAC name

NN-diethyl-1-({4-[(4-methoxyphenyl)amino]-6-[(3-nitrophenyl)amino]-135-triazin-2-yl}sulfanyl)methanethioamide

SMILES

CCN(CC)C(Sc1nc(Nc2cc([N+]([O-])=O)ccc2)nc(Nc(cc2)ccc2OC)n1)=S

InChI

InChI=1S/C21H23N7O3S2/c1-4-27(5-2)21(32)33-20-25-18(22-14-9-11-17(31-3)12-10-14)24-19(26-20)23-15-7-6-8-16(13-15)28(29)30/h6-13H,4-5H2,1-3H3,(H2,22,23,24,25,26)

InChI Key

VJLBYWCGFXCFJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.844

Distribution Coefficient, logD

6.844

Water Solubility, LogSw

-5.89

Polar Surface Area

91.949

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 3391-6688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3391-6688?
Check Price and Availability of 3391-6688, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3391-6688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3391-6688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3391-6688
  • 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 3391-6688 available by request