V003-4419 Screening compound: 4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide

V003-4419 Screening compound: 4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide
V003-4419 Screening compound: 4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4419
4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide

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

V003-4419

Molecular Formula

C29H35N5O2S (C29 H35 N5 O2 S)

Compound Name

4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide

IUPAC name

4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide

SMILES

CC(C)(C)c1nc(SCc(cc2)ccc2C(NCc2ccccc2)=O)nc(N(CC2)CCN2C(C)=O)c1

InChI

InChI=1S/C29H35N5O2S/c1-21(35)33-14-16-34(17-15-33)26-18-25(29(2,3)4)31-28(32-26)37-20-23-10-12-24(13-11-23)27(36)30-19-22-8-6-5-7-9-22/h5-13,18H,14-17,19-20H2,1-4H3,(H,30,36)

InChI Key

AYYSVWYCAUVZPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829892

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.096

Distribution Coefficient, logD

5.096

Water Solubility, LogSw

-4.95

Polar Surface Area

61.785

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V003-4419 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V003-4419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4419?
Check Price and Availability of V003-4419, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-4419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4419
  • 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 V003-4419 available by request