3389-2417 Screening compound: 2',3',4,5-tetramethyl 6'-benzyl-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

3389-2417 Screening compound: 2',3',4,5-tetramethyl 6'-benzyl-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
3389-2417 Screening compound: 2',3',4,5-tetramethyl 6'-benzyl-5',5',9'-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 3389-2417
2',3',4,5-tetramethyl 6'-benzyl-5',5',9'-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

3389-2417

Molecular Formula

C32H31NO8S3 (C32 H31 NO8 S3)

Compound Name

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

SMILES

CC1(C)N(Cc2ccccc2)c(ccc(C)c2)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O

InChI

InChI=1S/C32H31NO8S3/c1-17-13-14-20-19(15-17)21-26(31(2,3)33(20)16-18-11-9-8-10-12-18)42-23(28(35)39-5)22(27(34)38-4)32(21)43-24(29(36)40-6)25(44-32)30(37)41-7/h8-15H,16H2,1-7H3

InChI Key

FPMMVYWLLNGKEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

653.8

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.711

Distribution Coefficient, logD

6.711

Water Solubility, LogSw

-5.69

Polar Surface Area

86.466

Acid Dissociation Constant (pKa)

27.07

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 3389-2417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-2417?
Check Price and Availability of 3389-2417, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3389-2417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-2417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-2417
  • 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 3389-2417 available by request