8006-6629 Screening compound: N-{1-methyl-2-[(2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]ethyl}-2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetamide

8006-6629 Screening compound: N-{1-methyl-2-[(2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]ethyl}-2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetamide
8006-6629 Screening compound: N-{1-methyl-2-[(2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]ethyl}-2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6629
N-{1-methyl-2-[(2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]ethyl}-2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}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

8006-6629

Molecular Formula

C35H40N4O6S2 (C35 H40 N4 O6 S2)

Compound Name

N-{1-methyl-2-[(2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]ethyl}-2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetamide

IUPAC name

2-[N-(2-methylphenyl)4-methylbenzenesulfonamido]-N-(1-{2-[N-(2-methylphenyl)4-methylbenzenesulfonamido]acetamido}propan-2-yl)acetamide

SMILES

CC(CNC(CN(c1c(C)cccc1)S(c1ccc(C)cc1)(=O)=O)=O)NC(CN(c1c(C)cccc1)S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C35H40N4O6S2/c1-25-14-18-30(19-15-25)46(42,43)38(32-12-8-6-10-27(32)3)23-34(40)36-22-29(5)37-35(41)24-39(33-13-9-7-11-28(33)4)47(44,45)31-20-16-26(2)17-21-31/h6-21,29H,22-24H2,1-5H3,(H,36,40)(H,37,41)/t29-/m0/s1

InChI Key

NGKTYTDWYUTBJW-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD00826039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

676.86

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.617

Distribution Coefficient, logD

5.617

Water Solubility, LogSw

-5.41

Polar Surface Area

111.400

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.71

8006-6629 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8006-6629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6629?
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What is the minimum amount of 8006-6629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6629
  • 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 8006-6629 available by request