A0016312 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

A0016312 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
A0016312 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016312
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

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

A0016312

Molecular Formula

C29H34N4O4S (C29 H34 N4 O4 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-34-dihydroquinazoline-7-carboxamide

SMILES

CCCCCN1C(SCc2cc([N+]([O-])=O)ccc2)=Nc(cc(cc2)C(NCCC3=CCCCC3)=O)c2C1=O

InChI

InChI=1S/C29H34N4O4S/c1-2-3-7-17-32-28(35)25-14-13-23(27(34)30-16-15-21-9-5-4-6-10-21)19-26(25)31-29(32)38-20-22-11-8-12-24(18-22)33(36)37/h8-9,11-14,18-19H,2-7,10,15-17,20H2,1H3,(H,30,34)

InChI Key

FHMMDRDVOYVLHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.061

Distribution Coefficient, logD

6.061

Water Solubility, LogSw

-5.26

Polar Surface Area

83.849

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

A0016312 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with A0016312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016312?
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What is the minimum amount of A0016312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016312
  • 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 A0016312 available by request