A0016433 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

A0016433 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
A0016433 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016433
N-[(2-chlorophenyl)methyl]-2-{[(3-chlorophenyl)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

A0016433

Molecular Formula

C28H27Cl2N3O2S (C28 H27 Cl2 N3 O2 S)

Compound Name

N-[(2-chlorophenyl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-34-dihydroquinazoline-7-carboxamide

SMILES

CCCCCN1C(SCc2cc(Cl)ccc2)=Nc(cc(cc2)C(NCc(cccc3)c3Cl)=O)c2C1=O

InChI

InChI=1S/C28H27Cl2N3O2S/c1-2-3-6-14-33-27(35)23-13-12-20(26(34)31-17-21-9-4-5-11-24(21)30)16-25(23)32-28(33)36-18-19-8-7-10-22(29)15-19/h4-5,7-13,15-16H,2-3,6,14,17-18H2,1H3,(H,31,34)

InChI Key

UTXRPWDITCTDFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.332

Distribution Coefficient, logD

7.332

Water Solubility, LogSw

-6.26

Polar Surface Area

50.434

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

A0016433 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 A0016433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016433?
Check Price and Availability of A0016433, 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 A0016433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016433
  • 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 A0016433 available by request