V009-8260 Screening compound: 2-methylpropyl 4-[4-(4-tert-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V009-8260 Screening compound: 2-methylpropyl 4-[4-(4-tert-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V009-8260 Screening compound: 2-methylpropyl 4-[4-(4-tert-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8260
2-methylpropyl 4-[4-(4-tert-butylbenzamido)phenyl]-1,6-dimethyl-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

V009-8260

Molecular Formula

C28H35N3O3S (C28 H35 N3 O3 S)

Compound Name

2-methylpropyl 4-[4-(4-tert-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methylpropyl 4-[4-(4-tert-butylbenzamido)phenyl]-16-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)COC(C(C(c(cc1)ccc1NC(c1ccc(C(C)(C)C)cc1)=O)N1)=C(C)N(C)C1=S)=O

InChI

InChI=1S/C28H35N3O3S/c1-17(2)16-34-26(33)23-18(3)31(7)27(35)30-24(23)19-10-14-22(15-11-19)29-25(32)20-8-12-21(13-9-20)28(4,5)6/h8-15,17,24H,16H2,1-7H3,(H,29,32)(H,30,35)/t24-/m1/s1

InChI Key

VTTKPOCBUNEDGQ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19726199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.827

Distribution Coefficient, logD

5.827

Water Solubility, LogSw

-5.58

Polar Surface Area

58.733

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

V009-8260 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 V009-8260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8260?
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What is the minimum amount of V009-8260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8260
  • 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 V009-8260 available by request