C260-2946 Screening compound: ethyl 4-(2-{3-[(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

C260-2946 Screening compound: ethyl 4-(2-{3-[(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate
C260-2946 Screening compound: ethyl 4-(2-{3-[(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2946
ethyl 4-(2-{3-[(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

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

C260-2946

Molecular Formula

C35H32N4O6 (C35 H32 N4 O6)

Compound Name

ethyl 4-(2-{3-[(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{3-[(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-1-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(c(cccc1)c1C(N1Cc(cc2)ccc2C(NCc2ccc(C)cc2)=O)=O)C1=O)=O)=O

InChI

InChI=1S/C35H32N4O6/c1-3-45-34(43)27-16-18-28(19-17-27)37-31(40)22-38-30-7-5-4-6-29(30)33(42)39(35(38)44)21-25-12-14-26(15-13-25)32(41)36-20-24-10-8-23(2)9-11-24/h4-19H,3,20-22H2,1-2H3,(H,36,41)(H,37,40)

InChI Key

PKALOGYTTQRFSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.01

Polar Surface Area

99.583

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.10

C260-2946 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C260-2946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2946?
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What is the minimum amount of C260-2946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2946
  • 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 C260-2946 available by request