V026-3457 Screening compound: 4-({[4-(diethylamino)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide

V026-3457 Screening compound: 4-({[4-(diethylamino)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
V026-3457 Screening compound: 4-({[4-(diethylamino)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-3457
4-({[4-(diethylamino)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide

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

V026-3457

Molecular Formula

C25H31N5OS (C25 H31 N5 OS)

Compound Name

4-({[4-(diethylamino)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide

IUPAC name

4-({[4-(diethylamino)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide

SMILES

CCN(CC)c1cc(C(C)C)nc(SCc(cc2)ccc2C(NCc2ccncc2)=O)n1

InChI

InChI=1S/C25H31N5OS/c1-5-30(6-2)23-15-22(18(3)4)28-25(29-23)32-17-20-7-9-21(10-8-20)24(31)27-16-19-11-13-26-14-12-19/h7-15,18H,5-6,16-17H2,1-4H3,(H,27,31)

InChI Key

OLOJOWLLOKLJKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824972

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.467

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.15

Polar Surface Area

53.301

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V026-3457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-3457?
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What is the minimum amount of V026-3457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-3457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-3457
  • 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 V026-3457 available by request