V003-2117 Screening compound: 3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide

V003-2117 Screening compound: 3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
V003-2117 Screening compound: 3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2117
3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide

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

V003-2117

Molecular Formula

C29H38N4O3S (C29 H38 N4 O3 S)

Compound Name

3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide

IUPAC name

3-{[(4-tert-butyl-6-{[2-(34-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide

SMILES

CCNC(c1cccc(CSc2nc(N(C)CCc(cc3)cc(OC)c3OC)cc(C(C)(C)C)n2)c1)=O

InChI

InChI=1S/C29H38N4O3S/c1-8-30-27(34)22-11-9-10-21(16-22)19-37-28-31-25(29(2,3)4)18-26(32-28)33(5)15-14-20-12-13-23(35-6)24(17-20)36-7/h9-13,16-18H,8,14-15,19H2,1-7H3,(H,30,34)

InChI Key

LQPUHTRGQUOTTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19830077

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.422

Distribution Coefficient, logD

5.415

Water Solubility, LogSw

-5.35

Polar Surface Area

59.228

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with V003-2117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2117?
Check Price and Availability of V003-2117, 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 V003-2117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2117
  • 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 V003-2117 available by request