8640-0581 Screening compound: N,N-dibutyl-N-(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amine

8640-0581 Screening compound: N,N-dibutyl-N-(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amine
8640-0581 Screening compound: N,N-dibutyl-N-(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0581
N,N-dibutyl-N-(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amine

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

8640-0581

Molecular Formula

C28H34N4OS (C28 H34 N4 OS)

Compound Name

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

IUPAC name

NN-dibutyl-44-dimethyl-8-phenyl-6-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(CCCC)c1c2sc3nc(-c4ccccc4)c4OCC(C)(C)Cc4c3c2ncn1

InChI

InChI=1S/C28H34N4OS/c1-5-7-14-32(15-8-6-2)26-25-23(29-18-30-26)21-20-16-28(3,4)17-33-24(20)22(31-27(21)34-25)19-12-10-9-11-13-19/h9-13,18H,5-8,14-17H2,1-4H3

InChI Key

BDBHMITXZXOYEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01563094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.212

Distribution Coefficient, logD

8.208

Water Solubility, LogSw

-6.19

Polar Surface Area

41.984

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

8640-0581 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8640-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0581?
Check Price and Availability of 8640-0581, 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 8640-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0581
  • 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 8640-0581 available by request