V009-3994 Screening compound: isobutyl 4-{4-[(2,2-dimethylpropanoyl)amino]phenyl}-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V009-3994 Screening compound: isobutyl 4-{4-[(2,2-dimethylpropanoyl)amino]phenyl}-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V009-3994 Screening compound: isobutyl 4-{4-[(2,2-dimethylpropanoyl)amino]phenyl}-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3994
isobutyl 4-{4-[(2,2-dimethylpropanoyl)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

V009-3994

Molecular Formula

C22H31N3O3S (C22 H31 N3 O3 S)

Compound Name

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

IUPAC name

2-methylpropyl 4-[4-(22-dimethylpropanamido)phenyl]-16-dimethyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-13(2)12-28-19(26)17-14(3)25(7)21(29)24-18(17)15-8-10-16(11-9-15)23-20(27)22(4,5)6/h8-11,13,18H,12H2,1-7H3,(H,23,27)(H,24,29)/t18-/m1/s1

InChI Key

AHIKWTCVYGSZJX-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19723512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.624

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-3.96

Polar Surface Area

59.005

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V009-3994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3994?
Check Price and Availability of V009-3994, 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 V009-3994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3994
  • 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 V009-3994 available by request