3807-4645 Screening compound: 2',3',4,5-tetramethyl 5',5'-dimethyl-6'-propanoyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

3807-4645 Screening compound: 2',3',4,5-tetramethyl 5',5'-dimethyl-6'-propanoyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
3807-4645 Screening compound: 2',3',4,5-tetramethyl 5',5'-dimethyl-6'-propanoyl-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 3807-4645
2',3',4,5-tetramethyl 5',5'-dimethyl-6'-propanoyl-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

3807-4645

Molecular Formula

C27H27NO9S3 (C27 H27 NO9 S3)

Compound Name

2',3',4,5-tetramethyl 5',5'-dimethyl-6'-propanoyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

IUPAC name

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

SMILES

CCC(N(C1(C)C)c(cccc2)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O)=O

InChI

InChI=1S/C27H27NO9S3/c1-8-15(29)28-14-12-10-9-11-13(14)16-21(26(28,2)3)38-18(23(31)35-5)17(22(30)34-4)27(16)39-19(24(32)36-6)20(40-27)25(33)37-7/h9-12H,8H2,1-7H3

InChI Key

QYAANLCKAAAWBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

605.71

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-4.53

Polar Surface Area

98.795

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with 3807-4645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4645?
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What is the minimum amount of 3807-4645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4645
  • 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 3807-4645 available by request