V011-9753 Screening compound: methyl 3-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-7-ethyl-5-(3-fluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V011-9753 Screening compound: methyl 3-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-7-ethyl-5-(3-fluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V011-9753 Screening compound: methyl 3-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-7-ethyl-5-(3-fluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-9753
methyl 3-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-7-ethyl-5-(3-fluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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

V011-9753

Molecular Formula

C28H30FN3O5S (C28 H30 FN3 O5 S)

Compound Name

methyl 3-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-7-ethyl-5-(3-fluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 3-({[2-(34-dimethoxyphenyl)ethyl]carbamoyl}methyl)-7-ethyl-5-(3-fluorophenyl)-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCC(N=C1SC=C(CC(NCCc(cc2)cc(OC)c2OC)=O)N1C1c2cc(F)ccc2)=C1C(OC)=O

InChI

InChI=1S/C28H30FN3O5S/c1-5-21-25(27(34)37-4)26(18-7-6-8-19(29)14-18)32-20(16-38-28(32)31-21)15-24(33)30-12-11-17-9-10-22(35-2)23(13-17)36-3/h6-10,13-14,16,26H,5,11-12,15H2,1-4H3,(H,30,33)/t26-/m1/s1

InChI Key

QCOJATQMLHAASE-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19974325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

3.441

Water Solubility, LogSw

-3.74

Polar Surface Area

72.740

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V011-9753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-9753?
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What is the minimum amount of V011-9753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-9753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-9753
  • 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 V011-9753 available by request