C260-1312 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

C260-1312 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide
C260-1312 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1312
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)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

C260-1312

Molecular Formula

C28H32N6O6 (C28 H32 N6 O6)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-(1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)butanamide

SMILES

Cc1cc(NC(CN(c(cccc2)c2C(N2CCCC(NCCc(cc3)cc(OC)c3OC)=O)=O)C2=O)=O)n[nH]1

InChI

InChI=1S/C28H32N6O6/c1-18-15-24(32-31-18)30-26(36)17-34-21-8-5-4-7-20(21)27(37)33(28(34)38)14-6-9-25(35)29-13-12-19-10-11-22(39-2)23(16-19)40-3/h4-5,7-8,10-11,15-16H,6,9,12-14,17H2,1-3H3,(H,29,35)(H2,30,31,32,36)

InChI Key

ORRFMRKDOBVGEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.929

Distribution Coefficient, logD

0.926

Water Solubility, LogSw

-2.52

Polar Surface Area

117.103

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with C260-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C260-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1312
  • 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 C260-1312 available by request