4789-3782 Screening compound: N-[3-(diethylamino)propyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5-tetraen-3-amine

4789-3782 Screening compound: N-[3-(diethylamino)propyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5-tetraen-3-amine
4789-3782 Screening compound: N-[3-(diethylamino)propyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5-tetraen-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3782
N-[3-(diethylamino)propyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5-tetraen-3-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

4789-3782

Molecular Formula

C17H26N4S (C17 H26 N4 S)

Compound Name

N-[3-(diethylamino)propyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5-tetraen-3-amine

IUPAC name

N-[3-(diethylamino)propyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine

SMILES

CCN(CC)CCCNc1c(c(CCCC2)c2s2)c2ncn1

InChI

InChI=1S/C17H26N4S/c1-3-21(4-2)11-7-10-18-16-15-13-8-5-6-9-14(13)22-17(15)20-12-19-16/h12H,3-11H2,1-2H3,(H,18,19,20)

InChI Key

NDMIELSVOGTLIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

1.764

Water Solubility, LogSw

-4.16

Polar Surface Area

35.472

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

4789-3782 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4789-3782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3782?
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What is the minimum amount of 4789-3782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3782
  • 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 4789-3782 available by request