C336-0097 Screening compound: N~1~-BUTYL-3-(2-OXO-5-{[2-OXO-2-(3-TOLUIDINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

C336-0097 Screening compound: N~1~-BUTYL-3-(2-OXO-5-{[2-OXO-2-(3-TOLUIDINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE
C336-0097 Screening compound: N~1~-BUTYL-3-(2-OXO-5-{[2-OXO-2-(3-TOLUIDINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0097
N~1~-BUTYL-3-(2-OXO-5-{[2-OXO-2-(3-TOLUIDINO)ETHYL]SULFANYL}-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

C336-0097

Molecular Formula

C26H29N5O3S (C26 H29 N5 O3 S)

Compound Name

N~1~-BUTYL-3-(2-OXO-5-{[2-OXO-2-(3-TOLUIDINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

IUPAC name

n/a

SMILES

CCCCNC(CCC1N2C(SCC(Nc3cc(C)ccc3)=O)=Nc(cccc3)c3C2=NC1=O)=O

InChI

InChI=1S/C26H29N5O3S/c1-3-4-14-27-22(32)13-12-21-25(34)30-24-19-10-5-6-11-20(19)29-26(31(21)24)35-16-23(33)28-18-9-7-8-17(2)15-18/h5-11,15,21H,3-4,12-14,16H2,1-2H3,(H,27,32)(H,28,33)/t21-/m0/s1

InChI Key

HOHIHSVBRNHGAP-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.082

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.56

Polar Surface Area

82.885

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

C336-0097 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 C336-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0097?
Check Price and Availability of C336-0097, 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 C336-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0097
  • 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 C336-0097 available by request