C444-0575 Screening compound: 1,3-dimethyl 5-{3-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]propanamido}benzene-1,3-dicarboxylate

C444-0575 Screening compound: 1,3-dimethyl 5-{3-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]propanamido}benzene-1,3-dicarboxylate
C444-0575 Screening compound: 1,3-dimethyl 5-{3-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]propanamido}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0575
1,3-dimethyl 5-{3-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]propanamido}benzene-1,3-dicarboxylate

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

C444-0575

Molecular Formula

C24H26N2O8S (C24 H26 N2 O8 S)

Compound Name

1,3-dimethyl 5-{3-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]propanamido}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{3-[(1-acetyl-1234-tetrahydroquinolin-6-yl)sulfonyl]propanamido}benzene-13-dicarboxylate

SMILES

CC(N(CCC1)c(cc2)c1cc2S(CCC(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)=O)(=O)=O)=O

InChI

InChI=1S/C24H26N2O8S/c1-15(27)26-9-4-5-16-14-20(6-7-21(16)26)35(31,32)10-8-22(28)25-19-12-17(23(29)33-2)11-18(13-19)24(30)34-3/h6-7,11-14H,4-5,8-10H2,1-3H3,(H,25,28)

InChI Key

KGAIGKHHCIYBGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.55

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.407

Distribution Coefficient, logD

2.407

Water Solubility, LogSw

-2.96

Polar Surface Area

110.552

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C444-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0575?
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What is the minimum amount of C444-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0575
  • 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 C444-0575 available by request