D471-2730 Screening compound: 1-(4-chlorophenyl)-3-[2-({[1-(2-methylpropyl)-7-oxo-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea

D471-2730 Screening compound: 1-(4-chlorophenyl)-3-[2-({[1-(2-methylpropyl)-7-oxo-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea
D471-2730 Screening compound: 1-(4-chlorophenyl)-3-[2-({[1-(2-methylpropyl)-7-oxo-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D471-2730
1-(4-chlorophenyl)-3-[2-({[1-(2-methylpropyl)-7-oxo-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea

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

D471-2730

Molecular Formula

C23H23ClN6O2S (C23 H23 ClN6 O2 S)

Compound Name

1-(4-chlorophenyl)-3-[2-({[1-(2-methylpropyl)-7-oxo-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea

IUPAC name

1-(4-chlorophenyl)-3-[2-({[1-(2-methylpropyl)-7-oxo-1H7H-[124]triazolo[15-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea

SMILES

CC(C)CN(C=NC1=NC(CSc(cccc2)c2NC(Nc(cc2)ccc2Cl)=O)=C2)N1C2=O

InChI

InChI=1S/C23H23ClN6O2S/c1-15(2)12-29-14-25-22-26-18(11-21(31)30(22)29)13-33-20-6-4-3-5-19(20)28-23(32)27-17-9-7-16(24)8-10-17/h3-11,14-15H,12-13H2,1-2H3,(H2,27,28,32)

InChI Key

KBELGERTUHOOFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.54

Polar Surface Area

72.123

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D471-2730 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D471-2730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D471-2730?
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What is the minimum amount of D471-2730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D471-2730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D471-2730
  • 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 D471-2730 available by request