C260-2058 Screening compound: 4-{1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]butanamide

C260-2058 Screening compound: 4-{1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]butanamide
C260-2058 Screening compound: 4-{1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2058
4-{1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]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

C260-2058

Molecular Formula

C23H19BrClN3O5S (C23 H19 BrClN3 O5 S)

Compound Name

4-{1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]butanamide

IUPAC name

4-{1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-chloro-24-dioxo-1234-tetrahydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]butanamide

SMILES

O=C(CN(c(cc(cc1)Cl)c1C(N1CCCC(NCc2ccco2)=O)=O)C1=O)c(s1)ccc1Br

InChI

InChI=1S/C23H19BrClN3O5S/c24-20-8-7-19(34-20)18(29)13-28-17-11-14(25)5-6-16(17)22(31)27(23(28)32)9-1-4-21(30)26-12-15-3-2-10-33-15/h2-3,5-8,10-11H,1,4,9,12-13H2,(H,26,30)

InChI Key

BTHLXBOCMDBQHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.49

Polar Surface Area

77.731

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

C260-2058 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 C260-2058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2058?
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What is the minimum amount of C260-2058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2058
  • 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 C260-2058 available by request