V004-9423 Screening compound: 2-methylpropyl 1-ethyl-6-methyl-4-[3-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V004-9423 Screening compound: 2-methylpropyl 1-ethyl-6-methyl-4-[3-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V004-9423 Screening compound: 2-methylpropyl 1-ethyl-6-methyl-4-[3-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9423
2-methylpropyl 1-ethyl-6-methyl-4-[3-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

V004-9423

Molecular Formula

C26H31N3O3S (C26 H31 N3 O3 S)

Compound Name

2-methylpropyl 1-ethyl-6-methyl-4-[3-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methylpropyl 1-ethyl-6-methyl-4-[3-(2-phenylacetamido)phenyl]-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(C)=C(C(c1cc(NC(Cc2ccccc2)=O)ccc1)N1)C(OCC(C)C)=O)C1=S

InChI

InChI=1S/C26H31N3O3S/c1-5-29-18(4)23(25(31)32-16-17(2)3)24(28-26(29)33)20-12-9-13-21(15-20)27-22(30)14-19-10-7-6-8-11-19/h6-13,15,17,24H,5,14,16H2,1-4H3,(H,27,30)(H,28,33)/t24-/m1/s1

InChI Key

URMWCQGBTYPNLE-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19731248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.680

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.43

Polar Surface Area

58.479

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

V004-9423 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V004-9423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9423?
Check Price and Availability of V004-9423, 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 V004-9423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9423
  • 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 V004-9423 available by request