V024-9525 Screening compound: N-benzyl-5-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)-N-methylfuran-2-carboxamide

V024-9525 Screening compound: N-benzyl-5-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)-N-methylfuran-2-carboxamide
V024-9525 Screening compound: N-benzyl-5-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)-N-methylfuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-9525
N-benzyl-5-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)-N-methylfuran-2-carboxamide

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

V024-9525

Molecular Formula

C26H34N4O2S (C26 H34 N4 O2 S)

Compound Name

N-benzyl-5-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)-N-methylfuran-2-carboxamide

IUPAC name

N-benzyl-5-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)-N-methylfuran-2-carboxamide

SMILES

CCN(CC)c1cc(C(C)(C)C)nc(SCc2ccc(C(N(C)Cc3ccccc3)=O)o2)n1

InChI

InChI=1S/C26H34N4O2S/c1-7-30(8-2)23-16-22(26(3,4)5)27-25(28-23)33-18-20-14-15-21(32-20)24(31)29(6)17-19-12-10-9-11-13-19/h9-16H,7-8,17-18H2,1-6H3

InChI Key

QCMHIAKYNXPKMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819012

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.601

Distribution Coefficient, logD

6.600

Water Solubility, LogSw

-5.62

Polar Surface Area

43.452

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

V024-9525 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 V024-9525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-9525?
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What is the minimum amount of V024-9525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-9525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-9525
  • 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 V024-9525 available by request