3389-0064 Screening compound: 2',3',4,5-tetramethyl 6'-butanoyl-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

3389-0064 Screening compound: 2',3',4,5-tetramethyl 6'-butanoyl-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
3389-0064 Screening compound: 2',3',4,5-tetramethyl 6'-butanoyl-9'-methoxy-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 3389-0064
2',3',4,5-tetramethyl 6'-butanoyl-9'-methoxy-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

3389-0064

Molecular Formula

C29H31NO10S3 (C29 H31 NO10 S3)

Compound Name

2',3',4,5-tetramethyl 6'-butanoyl-9'-methoxy-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'-butanoyl-9'-methoxy-5'5'-dimethyl-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CCCC(N(C1(C)C)c(ccc(OC)c2)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O)=O

InChI

InChI=1S/C29H31NO10S3/c1-9-10-17(31)30-16-12-11-14(36-4)13-15(16)18-23(28(30,2)3)41-20(25(33)38-6)19(24(32)37-5)29(18)42-21(26(34)39-7)22(43-29)27(35)40-8/h11-13H,9-10H2,1-8H3

InChI Key

XJCSAWFWMIWMLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00486103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

649.76

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.325

Distribution Coefficient, logD

5.325

Water Solubility, LogSw

-5.46

Polar Surface Area

106.338

Acid Dissociation Constant (pKa)

23.46

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with 3389-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-0064?
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What is the minimum amount of 3389-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0064
  • 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 3389-0064 available by request