3184-1216 Screening compound: 2-chloro-5-(5-{[(2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

3184-1216 Screening compound: 2-chloro-5-(5-{[(2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid
3184-1216 Screening compound: 2-chloro-5-(5-{[(2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3184-1216
2-chloro-5-(5-{[(2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

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

3184-1216

Molecular Formula

C34H27ClN2O8S (C34 H27 ClN2 O8 S)

Compound Name

2-chloro-5-(5-{[(2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

2-chloro-5-(5-{[(2Z)-5-(27-dimethoxynaphthalen-1-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CCOC(C(C(c(c1cc(OC)ccc1cc1)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c(cc2)cc(C(O)=O)c2Cl)o1)=O

InChI

InChI=1S/C34H27ClN2O8S/c1-5-44-33(41)28-17(2)36-34-37(30(28)29-22-15-20(42-3)9-6-18(22)8-12-26(29)43-4)31(38)27(46-34)16-21-10-13-25(45-21)19-7-11-24(35)23(14-19)32(39)40/h6-16,30H,5H2,1-4H3,(H,39,40)/t30-/m0/s1

InChI Key

RZNSKECKJHBFLP-PMERELPUSA-N

MDL Number (MFCD)

MFCD02086560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

659.12

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.233

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-6.20

Polar Surface Area

96.628

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

3184-1216 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3184-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3184-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3184-1216
  • 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 3184-1216 available by request