4477-0708 Screening compound: 2',3',4,5-tetramethyl 6'-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5',5',8'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

4477-0708 Screening compound: 2',3',4,5-tetramethyl 6'-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5',5',8'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
4477-0708 Screening compound: 2',3',4,5-tetramethyl 6'-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5',5',8'-trimethyl-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 4477-0708
2',3',4,5-tetramethyl 6'-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5',5',8'-trimethyl-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

4477-0708

Molecular Formula

C31H30N2O11S3 (C31 H30 N2 O11 S3)

Compound Name

2',3',4,5-tetramethyl 6'-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-5',5',8'-trimethyl-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'-[2-(25-dioxopyrrolidin-1-yl)acetyl]-5'5'8'-trimethyl-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CC1(C)N(C(CN(C(CC2)=O)C2=O)=O)c(cc(C)cc2)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O

InChI

InChI=1S/C31H30N2O11S3/c1-14-8-9-15-16(12-14)33(19(36)13-32-17(34)10-11-18(32)35)30(2,3)25-20(15)31(21(26(37)41-4)22(45-25)27(38)42-5)46-23(28(39)43-6)24(47-31)29(40)44-7/h8-9,12H,10-11,13H2,1-7H3

InChI Key

RXONYKVOHAZBTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01068169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

702.78

Hydrogen Bond Acceptors Count

21.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

3.064

Water Solubility, LogSw

-3.38

Polar Surface Area

128.875

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.70

References: we are preparing a list of scientific research reports with 4477-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0708?
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What is the minimum amount of 4477-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0708
  • 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 4477-0708 available by request