8004-2280 Screening compound: 2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}-N-{6-[(2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]hexyl}acetamide

8004-2280 Screening compound: 2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}-N-{6-[(2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]hexyl}acetamide
8004-2280 Screening compound: 2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}-N-{6-[(2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]hexyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2280
2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}-N-{6-[(2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]hexyl}acetamide

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

8004-2280

Molecular Formula

C38H46N4O6S2 (C38 H46 N4 O6 S2)

Compound Name

2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}-N-{6-[(2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]hexyl}acetamide

IUPAC name

2-[N-(2-methylphenyl)4-methylbenzenesulfonamido]-N-(6-{2-[N-(2-methylphenyl)4-methylbenzenesulfonamido]acetamido}hexyl)acetamide

SMILES

Cc(cc1)ccc1S(N(CC(NCCCCCCNC(CN(c1c(C)cccc1)S(c1ccc(C)cc1)(=O)=O)=O)=O)c1c(C)cccc1)(=O)=O

InChI

InChI=1S/C38H46N4O6S2/c1-29-17-21-33(22-18-29)49(45,46)41(35-15-9-7-13-31(35)3)27-37(43)39-25-11-5-6-12-26-40-38(44)28-42(36-16-10-8-14-32(36)4)50(47,48)34-23-19-30(2)20-24-34/h7-10,13-24H,5-6,11-12,25-28H2,1-4H3,(H,39,43)(H,40,44)

InChI Key

YZEKRTBXKHTMHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00738654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

718.94

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.165

Distribution Coefficient, logD

6.165

Water Solubility, LogSw

-5.33

Polar Surface Area

111.642

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

References: we are preparing a list of scientific research reports with 8004-2280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2280?
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What is the minimum amount of 8004-2280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2280
  • 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 8004-2280 available by request