C270-0434 Screening compound: 3-[3-(azepan-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

C270-0434 Screening compound: 3-[3-(azepan-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
C270-0434 Screening compound: 3-[3-(azepan-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C270-0434
3-[3-(azepan-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

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

C270-0434

Molecular Formula

C17H23N3OS (C17 H23 N3 OS)

Compound Name

3-[3-(azepan-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-[3-(azepan-1-yl)propyl]-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

O=C(c(cccc1)c1N1)N(CCCN2CCCCCC2)C1=S

InChI

InChI=1S/C17H23N3OS/c21-16-14-8-3-4-9-15(14)18-17(22)20(16)13-7-12-19-10-5-1-2-6-11-19/h3-4,8-9H,1-2,5-7,10-13H2,(H,18,22)

InChI Key

YXAKYAGBSDOLGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03713313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

0.817

Water Solubility, LogSw

-3.63

Polar Surface Area

31.610

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

9.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

C270-0434 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C270-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C270-0434?
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What is the minimum amount of C270-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C270-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C270-0434
  • 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 C270-0434 available by request