V009-8246 Screening compound: methyl 1-ethyl-6-methyl-4-[4-(naphthalene-1-sulfonamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V009-8246 Screening compound: methyl 1-ethyl-6-methyl-4-[4-(naphthalene-1-sulfonamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V009-8246 Screening compound: methyl 1-ethyl-6-methyl-4-[4-(naphthalene-1-sulfonamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8246
methyl 1-ethyl-6-methyl-4-[4-(naphthalene-1-sulfonamido)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

V009-8246

Molecular Formula

C25H25N3O4S2 (C25 H25 N3 O4 S2)

Compound Name

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

IUPAC name

methyl 1-ethyl-6-methyl-4-[4-(naphthalene-1-sulfonamido)phenyl]-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(C)=C(C(c(cc1)ccc1NS(c1cccc2ccccc12)(=O)=O)N1)C(OC)=O)C1=S

InChI

InChI=1S/C25H25N3O4S2/c1-4-28-16(2)22(24(29)32-3)23(26-25(28)33)18-12-14-19(15-13-18)27-34(30,31)21-11-7-9-17-8-5-6-10-20(17)21/h5-15,23,27H,4H2,1-3H3,(H,26,33)/t23-/m0/s1

InChI Key

ZTTDVWRIRQZMSA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19762823

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.195

Distribution Coefficient, logD

4.008

Water Solubility, LogSw

-4.33

Polar Surface Area

76.024

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

V009-8246 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 V009-8246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8246?
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What is the minimum amount of V009-8246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8246
  • 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 V009-8246 available by request