H025-3160C Screening compound: 8-benzyl-2,5-dimethyl-5,6,7,8-tetrahydro-4H-thieno[3',2':4,5]pyrrolo[3,2-c]pyridine

H025-3160C Screening compound: 8-benzyl-2,5-dimethyl-5,6,7,8-tetrahydro-4H-thieno[3',2':4,5]pyrrolo[3,2-c]pyridine
H025-3160C Screening compound: 8-benzyl-2,5-dimethyl-5,6,7,8-tetrahydro-4H-thieno[3',2':4,5]pyrrolo[3,2-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3160C
8-benzyl-2,5-dimethyl-5,6,7,8-tetrahydro-4H-thieno[3',2':4,5]pyrrolo[3,2-c]pyridine

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

H025-3160C

Molecular Formula

C18H20N2S (C18 H20 N2 S)

Compound Name

8-benzyl-2,5-dimethyl-5,6,7,8-tetrahydro-4H-thieno[3',2':4,5]pyrrolo[3,2-c]pyridine

IUPAC name

7-benzyl-411-dimethyl-5-thia-711-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)3-triene

SMILES

Cc1cc(c(CN(C)CC2)c2n2Cc3ccccc3)c2s1

InChI

InChI=1S/C18H20N2S/c1-13-10-15-16-12-19(2)9-8-17(16)20(18(15)21-13)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11-12H2,1-2H3

InChI Key

HUXWBDHAKRMJBK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

296.44

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

0.092

Water Solubility, LogSw

-4.21

Polar Surface Area

5.608

Acid Dissociation Constant (pKa)

26.72

Base Dissociation Constant (pKb)

11.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

H025-3160C in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H025-3160C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3160C?
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What is the minimum amount of H025-3160C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3160C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3160C
  • 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 H025-3160C available by request