V003-4610 Screening compound: N-(cyclopropylmethyl)-4-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzamide

V003-4610 Screening compound: N-(cyclopropylmethyl)-4-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzamide
V003-4610 Screening compound: N-(cyclopropylmethyl)-4-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4610
N-(cyclopropylmethyl)-4-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)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

V003-4610

Molecular Formula

C29H35N5O2S (C29 H35 N5 O2 S)

Compound Name

N-(cyclopropylmethyl)-4-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzamide

IUPAC name

N-(cyclopropylmethyl)-4-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-56-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzamide

SMILES

Cc(c(C)n1)c(N(CC2)CCN2c(cc2)ccc2OC)nc1SCc(cc1)ccc1C(NCC1CC1)=O

InChI

InChI=1S/C29H35N5O2S/c1-20-21(2)31-29(37-19-23-6-8-24(9-7-23)28(35)30-18-22-4-5-22)32-27(20)34-16-14-33(15-17-34)25-10-12-26(36-3)13-11-25/h6-13,22H,4-5,14-19H2,1-3H3,(H,30,35)

InChI Key

RLYJTFCGZJQXOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19825885

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.352

Distribution Coefficient, logD

5.350

Water Solubility, LogSw

-5.29

Polar Surface Area

56.963

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

V003-4610 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 V003-4610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4610?
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What is the minimum amount of V003-4610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4610
  • 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 V003-4610 available by request