C260-1948 Screening compound: 4-[1-(carbamoylmethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]-N-[2-(4-methylphenyl)ethyl]butanamide

C260-1948 Screening compound: 4-[1-(carbamoylmethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]-N-[2-(4-methylphenyl)ethyl]butanamide
C260-1948 Screening compound: 4-[1-(carbamoylmethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]-N-[2-(4-methylphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1948
4-[1-(carbamoylmethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]-N-[2-(4-methylphenyl)ethyl]butanamide

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

C260-1948

Molecular Formula

C23H26N4O4 (C23 H26 N4 O4)

Compound Name

4-[1-(carbamoylmethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]-N-[2-(4-methylphenyl)ethyl]butanamide

IUPAC name

4-[1-(carbamoylmethyl)-24-dioxo-1234-tetrahydroquinazolin-3-yl]-N-[2-(4-methylphenyl)ethyl]butanamide

SMILES

Cc1ccc(CCNC(CCCN(C(c(cccc2)c2N2CC(N)=O)=O)C2=O)=O)cc1

InChI

InChI=1S/C23H26N4O4/c1-16-8-10-17(11-9-16)12-13-25-21(29)7-4-14-26-22(30)18-5-2-3-6-19(18)27(23(26)31)15-20(24)28/h2-3,5-6,8-11H,4,7,12-15H2,1H3,(H2,24,28)(H,25,29)

InChI Key

ZJIQYNJNFAYMQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.507

Distribution Coefficient, logD

0.507

Water Solubility, LogSw

-2.26

Polar Surface Area

89.218

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C260-1948 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1948?
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What is the minimum amount of C260-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1948
  • 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 C260-1948 available by request