3807-1159 Screening compound: 1-(4-chlorophenyl)-2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-ethanone

3807-1159 Screening compound: 1-(4-chlorophenyl)-2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-ethanone
3807-1159 Screening compound: 1-(4-chlorophenyl)-2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-1159
1-(4-chlorophenyl)-2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-ethanone

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

3807-1159

Molecular Formula

C27H22Cl2N2O3S3 (C27 H22 Cl2 N2 O3 S3)

Compound Name

1-(4-chlorophenyl)-2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-ethanone

IUPAC name

1-(4-chlorophenyl)-2-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1212-dimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl)sulfanyl]ethan-1-one

SMILES

CC(C)(C1)OCc(sc2nc(SCC(c(cc3)ccc3Cl)=O)n3)c1c2c3SCC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C27H22Cl2N2O3S3/c1-27(2)11-19-22(12-34-27)37-25-23(19)24(35-13-20(32)15-3-7-17(28)8-4-15)30-26(31-25)36-14-21(33)16-5-9-18(29)10-6-16/h3-10H,11-14H2,1-2H3

InChI Key

KHQLSQRGDMKSHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.770

Distribution Coefficient, logD

7.770

Water Solubility, LogSw

-6.61

Polar Surface Area

52.336

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

3807-1159 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3807-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-1159?
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What is the minimum amount of 3807-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-1159
  • 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 3807-1159 available by request