6857-0107 Screening compound: N-(2,2-DIMETHYL-5-MORPHOLINO-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)-N,N-DIETHYLAMINE

6857-0107 Screening compound: N-(2,2-DIMETHYL-5-MORPHOLINO-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)-N,N-DIETHYLAMINE
6857-0107 Screening compound: N-(2,2-DIMETHYL-5-MORPHOLINO-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)-N,N-DIETHYLAMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6857-0107
N-(2,2-DIMETHYL-5-MORPHOLINO-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)-N,N-DIETHYLAMINE

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

6857-0107

Molecular Formula

C22H29N5O2S (C22 H29 N5 O2 S)

Compound Name

N-(2,2-DIMETHYL-5-MORPHOLINO-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)-N,N-DIETHYLAMINE

IUPAC name

n/a

SMILES

CCN(CC)c1c2sc3nc(N4CCOCC4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C22H29N5O2S/c1-5-26(6-2)20-18-17(23-13-24-20)16-14-11-22(3,4)29-12-15(14)19(25-21(16)30-18)27-7-9-28-10-8-27/h13H,5-12H2,1-4H3

InChI Key

PGPCRESUEUSBQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01563294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.766

Water Solubility, LogSw

-4.78

Polar Surface Area

51.835

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

6857-0107 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6857-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6857-0107?
Check Price and Availability of 6857-0107, 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 6857-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6857-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6857-0107
  • 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 6857-0107 available by request