V030-9813 Screening compound: ETHYL 6-[(2,4-DIFLUOROPHENOXY)METHYL]-1-ETHYL-2-OXO-4-(3-THIENYL)-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

V030-9813 Screening compound: ETHYL 6-[(2,4-DIFLUOROPHENOXY)METHYL]-1-ETHYL-2-OXO-4-(3-THIENYL)-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
V030-9813 Screening compound: ETHYL 6-[(2,4-DIFLUOROPHENOXY)METHYL]-1-ETHYL-2-OXO-4-(3-THIENYL)-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9813
ETHYL 6-[(2,4-DIFLUOROPHENOXY)METHYL]-1-ETHYL-2-OXO-4-(3-THIENYL)-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

V030-9813

Molecular Formula

C20H20F2N2O4S (C20 H20 F2 N2 O4 S)

Compound Name

ETHYL 6-[(2,4-DIFLUOROPHENOXY)METHYL]-1-ETHYL-2-OXO-4-(3-THIENYL)-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE

IUPAC name

n/a

SMILES

CCN(C(COc(ccc(F)c1)c1F)=C(C(c1cscc1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C20H20F2N2O4S/c1-3-24-15(10-28-16-6-5-13(21)9-14(16)22)17(19(25)27-4-2)18(23-20(24)26)12-7-8-29-11-12/h5-9,11,18H,3-4,10H2,1-2H3,(H,23,26)/t18-/m0/s1

InChI Key

DIIXHIASRPCLOQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19832196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-3.89

Polar Surface Area

57.082

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

V030-9813 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V030-9813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9813?
Check Price and Availability of V030-9813, 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 V030-9813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9813
  • 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 V030-9813 available by request