4477-2063 Screening compound: 1-({4,6-bis[(5-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}sulfanyl)-N,N-diethylmethanethioamide

4477-2063 Screening compound: 1-({4,6-bis[(5-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}sulfanyl)-N,N-diethylmethanethioamide
4477-2063 Screening compound: 1-({4,6-bis[(5-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}sulfanyl)-N,N-diethylmethanethioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2063
1-({4,6-bis[(5-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}sulfanyl)-N,N-diethylmethanethioamide

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

4477-2063

Molecular Formula

C22H24Cl2N6S2 (C22 H24 Cl2 N6 S2)

Compound Name

1-({4,6-bis[(5-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}sulfanyl)-N,N-diethylmethanethioamide

IUPAC name

1-({46-bis[(5-chloro-2-methylphenyl)amino]-135-triazin-2-yl}sulfanyl)-NN-diethylmethanethioamide

SMILES

CCN(CC)C(Sc1nc(Nc2c(C)ccc(Cl)c2)nc(Nc2c(C)ccc(Cl)c2)n1)=S

InChI

InChI=1S/C22H24Cl2N6S2/c1-5-30(6-2)22(31)32-21-28-19(25-17-11-15(23)9-7-13(17)3)27-20(29-21)26-18-12-16(24)10-8-14(18)4/h7-12H,5-6H2,1-4H3,(H2,25,26,27,28,29)

InChI Key

WNHYOUDIQSGPAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01960034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.169

Distribution Coefficient, logD

8.168

Water Solubility, LogSw

-6.64

Polar Surface Area

49.628

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4477-2063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2063?
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What is the minimum amount of 4477-2063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2063
  • 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 4477-2063 available by request