3871-1141 Screening compound: ethyl (2Z)-2-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3871-1141 Screening compound: ethyl (2Z)-2-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3871-1141 Screening compound: ethyl (2Z)-2-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3871-1141
ethyl (2Z)-2-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,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

3871-1141

Molecular Formula

C31H37N3O6S (C31 H37 N3 O6 S)

Compound Name

ethyl (2Z)-2-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCN(CC)c1cc(OC)c(/C=C(/C(N2C3c(cc4)cc(OCC)c4OC)=O)\SC2=NC(C)=C3C(OCC)=O)cc1

InChI

InChI=1S/C31H37N3O6S/c1-8-33(9-2)22-14-12-20(24(18-22)38-7)17-26-29(35)34-28(21-13-15-23(37-6)25(16-21)39-10-3)27(30(36)40-11-4)19(5)32-31(34)41-26/h12-18,28H,8-11H2,1-7H3/t28-/m1/s1

InChI Key

KCILNLBFPVUBFR-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD03082387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.349

Distribution Coefficient, logD

5.347

Water Solubility, LogSw

-5.46

Polar Surface Area

70.955

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.70

3871-1141 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3871-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-1141?
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What is the minimum amount of 3871-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-1141
  • 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 3871-1141 available by request