C260-3037 Screening compound: N-butyl-2-{3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-ethylacetamide

C260-3037 Screening compound: N-butyl-2-{3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-ethylacetamide
C260-3037 Screening compound: N-butyl-2-{3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-3037
N-butyl-2-{3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-ethylacetamide

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

C260-3037

Molecular Formula

C25H30ClN3O5 (C25 H30 ClN3 O5)

Compound Name

N-butyl-2-{3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}-N-ethylacetamide

IUPAC name

N-butyl-2-{3-[(2-chlorophenyl)methyl]-67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-1-yl}-N-ethylacetamide

SMILES

CCCCN(CC)C(CN(c(cc(c(OC)c1)OC)c1C(N1Cc(cccc2)c2Cl)=O)C1=O)=O

InChI

InChI=1S/C25H30ClN3O5/c1-5-7-12-27(6-2)23(30)16-28-20-14-22(34-4)21(33-3)13-18(20)24(31)29(25(28)32)15-17-10-8-9-11-19(17)26/h8-11,13-14H,5-7,12,15-16H2,1-4H3

InChI Key

WYECGUPURBVRSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.389

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.60

Polar Surface Area

62.458

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C260-3037 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 C260-3037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-3037?
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What is the minimum amount of C260-3037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-3037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-3037
  • 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 C260-3037 available by request