C336-0092 Screening compound: N~1~-CYCLOHEXYL-3-(5-{[2-(2-FLUOROANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

C336-0092 Screening compound: N~1~-CYCLOHEXYL-3-(5-{[2-(2-FLUOROANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE
C336-0092 Screening compound: N~1~-CYCLOHEXYL-3-(5-{[2-(2-FLUOROANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0092
N~1~-CYCLOHEXYL-3-(5-{[2-(2-FLUOROANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

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

C336-0092

Molecular Formula

C27H28FN5O3S (C27 H28 FN5 O3 S)

Compound Name

N~1~-CYCLOHEXYL-3-(5-{[2-(2-FLUOROANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

IUPAC name

n/a

SMILES

O=C(CCC1N2C(SCC(Nc(cccc3)c3F)=O)=Nc(cccc3)c3C2=NC1=O)NC1CCCCC1

InChI

InChI=1S/C27H28FN5O3S/c28-19-11-5-7-13-21(19)30-24(35)16-37-27-31-20-12-6-4-10-18(20)25-32-26(36)22(33(25)27)14-15-23(34)29-17-8-2-1-3-9-17/h4-7,10-13,17,22H,1-3,8-9,14-16H2,(H,29,34)(H,30,35)/t22-/m0/s1

InChI Key

QKMOZIQDRVBQLF-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.192

Water Solubility, LogSw

-3.74

Polar Surface Area

81.800

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

C336-0092 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C336-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0092?
Check Price and Availability of C336-0092, 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 C336-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0092
  • 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 C336-0092 available by request