4157-0426 Screening compound: 2',3',4,5-tetramethyl 6'-[(3-chlorophenyl)carbamoyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

4157-0426 Screening compound: 2',3',4,5-tetramethyl 6'-[(3-chlorophenyl)carbamoyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
4157-0426 Screening compound: 2',3',4,5-tetramethyl 6'-[(3-chlorophenyl)carbamoyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4157-0426
2',3',4,5-tetramethyl 6'-[(3-chlorophenyl)carbamoyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

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

4157-0426

Molecular Formula

C31H27ClN2O9S3 (C31 H27 ClN2 O9 S3)

Compound Name

2',3',4,5-tetramethyl 6'-[(3-chlorophenyl)carbamoyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

IUPAC name

2'3'45-tetramethyl 6'-[(3-chlorophenyl)carbamoyl]-5'5'-dimethyl-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CC1(C)N(C(Nc2cccc(Cl)c2)=O)c(cccc2)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O

InChI

InChI=1S/C31H27ClN2O9S3/c1-30(2)24-19(17-12-7-8-13-18(17)34(30)29(39)33-16-11-9-10-15(32)14-16)31(20(25(35)40-3)21(44-24)26(36)41-4)45-22(27(37)42-5)23(46-31)28(38)43-6/h7-14H,1-6H3,(H,33,39)

InChI Key

IPOOHJBDQXFHGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

703.21

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.527

Distribution Coefficient, logD

6.527

Water Solubility, LogSw

-6.13

Polar Surface Area

107.871

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with 4157-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4157-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-0426
  • 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 4157-0426 available by request