V003-5233 Screening compound: 3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(cyclopropylmethyl)benzamide

V003-5233 Screening compound: 3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(cyclopropylmethyl)benzamide
V003-5233 Screening compound: 3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(cyclopropylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5233
3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(cyclopropylmethyl)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

V003-5233

Molecular Formula

C31H39N5O2S (C31 H39 N5 O2 S)

Compound Name

3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(cyclopropylmethyl)benzamide

IUPAC name

3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(cyclopropylmethyl)benzamide

SMILES

CC(C)(C)c1nc(SCc2cc(C(NCC3CC3)=O)ccc2)nc(N(CC2)CCN2c(cc2)ccc2OC)c1

InChI

InChI=1S/C31H39N5O2S/c1-31(2,3)27-19-28(36-16-14-35(15-17-36)25-10-12-26(38-4)13-11-25)34-30(33-27)39-21-23-6-5-7-24(18-23)29(37)32-20-22-8-9-22/h5-7,10-13,18-19,22H,8-9,14-17,20-21H2,1-4H3,(H,32,37)

InChI Key

CTGQVYBOJFDCCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831886

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.816

Distribution Coefficient, logD

6.815

Water Solubility, LogSw

-5.69

Polar Surface Area

55.917

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

V003-5233 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 V003-5233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5233?
Check Price and Availability of V003-5233, 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 V003-5233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5233
  • 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 V003-5233 available by request