C336-0144 Screening compound: 2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-ETHOXYPHENYL)ACETAMIDE

C336-0144 Screening compound: 2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-ETHOXYPHENYL)ACETAMIDE
C336-0144 Screening compound: 2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-ETHOXYPHENYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0144
2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-ETHOXYPHENYL)ACETAMIDE

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

C336-0144

Molecular Formula

C26H29N5O4S (C26 H29 N5 O4 S)

Compound Name

2-({3-[2-(BUTYLAMINO)-2-OXOETHYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(2-ETHOXYPHENYL)ACETAMIDE

IUPAC name

n/a

SMILES

CCCCNC(CC1N2C(SCC(Nc(cccc3)c3OCC)=O)=Nc(cccc3)c3C2=NC1=O)=O

InChI

InChI=1S/C26H29N5O4S/c1-3-5-14-27-22(32)15-20-25(34)30-24-17-10-6-7-11-18(17)29-26(31(20)24)36-16-23(33)28-19-12-8-9-13-21(19)35-4-2/h6-13,20H,3-5,14-16H2,1-2H3,(H,27,32)(H,28,33)/t20-/m0/s1

InChI Key

IPBDUDLCKVJKTD-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-3.28

Polar Surface Area

89.398

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

C336-0144 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C336-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0144?
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What is the minimum amount of C336-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0144
  • 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 C336-0144 available by request