7245-0230 Screening compound: N-butyl-N-[2,2-dimethyl-5-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-methylamine

7245-0230 Screening compound: N-butyl-N-[2,2-dimethyl-5-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-methylamine
7245-0230 Screening compound: N-butyl-N-[2,2-dimethyl-5-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-methylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7245-0230
N-butyl-N-[2,2-dimethyl-5-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-methylamine

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

7245-0230

Molecular Formula

C23H31N5OS (C23 H31 N5 OS)

Compound Name

N-butyl-N-[2,2-dimethyl-5-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-methylamine

IUPAC name

N-butyl-N44-trimethyl-8-(pyrrolidin-1-yl)-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CCCCN(C)c1c2sc3nc(N4CCCC4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C23H31N5OS/c1-5-6-9-27(4)21-19-18(24-14-25-21)17-15-12-23(2,3)29-13-16(15)20(26-22(17)30-19)28-10-7-8-11-28/h14H,5-13H2,1-4H3

InChI Key

YDKQUGXRRPKTKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03008631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.812

Distribution Coefficient, logD

5.773

Water Solubility, LogSw

-5.54

Polar Surface Area

44.761

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

7245-0230 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7245-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7245-0230?
Check Price and Availability of 7245-0230, 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 7245-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7245-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7245-0230
  • 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 7245-0230 available by request