6131-0057 Screening compound: 2,8,8-trimethyl-4-(1-pyrrolidinyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

6131-0057 Screening compound: 2,8,8-trimethyl-4-(1-pyrrolidinyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
6131-0057 Screening compound: 2,8,8-trimethyl-4-(1-pyrrolidinyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6131-0057
2,8,8-trimethyl-4-(1-pyrrolidinyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

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

6131-0057

Molecular Formula

C19H22N4OS (C19 H22 N4 OS)

Compound Name

2,8,8-trimethyl-4-(1-pyrrolidinyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

n/a

SMILES

CC(C)(C1)OCc2c1nc1sc3c(N4CCCC4)nc(C)nc3c1c2

InChI

InChI=1S/C19H22N4OS/c1-11-20-15-13-8-12-10-24-19(2,3)9-14(12)22-18(13)25-16(15)17(21-11)23-6-4-5-7-23/h8H,4-7,9-10H2,1-3H3

InChI Key

YHMFULNRGUAUAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.32

Polar Surface Area

41.498

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

6131-0057 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6131-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6131-0057?
Check Price and Availability of 6131-0057, 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 6131-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6131-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6131-0057
  • 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 6131-0057 available by request