8010-1062 Screening compound: 2',3',4,5-tetramethyl 7'-methoxy-5',5'-dimethyl-6'-(prop-2-enoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

8010-1062 Screening compound: 2',3',4,5-tetramethyl 7'-methoxy-5',5'-dimethyl-6'-(prop-2-enoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
8010-1062 Screening compound: 2',3',4,5-tetramethyl 7'-methoxy-5',5'-dimethyl-6'-(prop-2-enoyl)-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 8010-1062
2',3',4,5-tetramethyl 7'-methoxy-5',5'-dimethyl-6'-(prop-2-enoyl)-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

8010-1062

Molecular Formula

C28H27NO10S3 (C28 H27 NO10 S3)

Compound Name

2',3',4,5-tetramethyl 7'-methoxy-5',5'-dimethyl-6'-(prop-2-enoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

IUPAC name

2'3'45-tetramethyl 7'-methoxy-5'5'-dimethyl-6'-(prop-2-enoyl)-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CC1(C)N(C(C=C)=O)c(c(OC)ccc2)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O

InChI

InChI=1S/C28H27NO10S3/c1-9-15(30)29-18-13(11-10-12-14(18)35-4)16-22(27(29,2)3)40-19(24(32)37-6)17(23(31)36-5)28(16)41-20(25(33)38-7)21(42-28)26(34)39-8/h9-12H,1H2,2-8H3

InChI Key

WWGAURIVDFICBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01171431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

633.72

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.62

Polar Surface Area

107.582

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

8010-1062 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1062?
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What is the minimum amount of 8010-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1062
  • 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 8010-1062 available by request