V009-8187 Screening compound: isobutyl 4-(3-{[4-(tert-butyl)benzoyl]amino}phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V009-8187 Screening compound: isobutyl 4-(3-{[4-(tert-butyl)benzoyl]amino}phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V009-8187 Screening compound: isobutyl 4-(3-{[4-(tert-butyl)benzoyl]amino}phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8187
isobutyl 4-(3-{[4-(tert-butyl)benzoyl]amino}phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

V009-8187

Molecular Formula

C28H35N3O3S (C28 H35 N3 O3 S)

Compound Name

isobutyl 4-(3-{[4-(tert-butyl)benzoyl]amino}phenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

2-methylpropyl 4-[3-(4-tert-butylbenzamido)phenyl]-16-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)COC(C(C(c1cc(NC(c2ccc(C(C)(C)C)cc2)=O)ccc1)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)20-9-8-10-22(15-20)29-25(32)19-11-13-21(14-12-19)28(4,5)6/h8-15,17,24H,16H2,1-7H3,(H,29,32)(H,30,35)/t24-/m1/s1

InChI Key

WFAMTYAKVMELOK-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19977111

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

6.048

Distribution Coefficient, logD

6.048

Water Solubility, LogSw

-5.54

Polar Surface Area

58.733

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.29

References: we are preparing a list of scientific research reports with V009-8187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8187?
Check Price and Availability of V009-8187, 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 V009-8187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8187
  • 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 V009-8187 available by request