3329-2635 Screening compound: ethyl 2-[4-(4-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenoxy)benzamido]-4-methyl-1,3-thiazole-5-carboxylate

3329-2635 Screening compound: ethyl 2-[4-(4-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenoxy)benzamido]-4-methyl-1,3-thiazole-5-carboxylate
3329-2635 Screening compound: ethyl 2-[4-(4-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenoxy)benzamido]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-2635
ethyl 2-[4-(4-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenoxy)benzamido]-4-methyl-1,3-thiazole-5-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

3329-2635

Molecular Formula

C28H26N4O7S2 (C28 H26 N4 O7 S2)

Compound Name

ethyl 2-[4-(4-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenoxy)benzamido]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[4-(4-{[5-(ethoxycarbonyl)-4-methyl-13-thiazol-2-yl]carbamoyl}phenoxy)benzamido]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(c(cc2)ccc2Oc(cc2)ccc2C(Nc2nc(C)c(C(OCC)=O)s2)=O)=O)s1)=O

InChI

InChI=1S/C28H26N4O7S2/c1-5-37-25(35)21-15(3)29-27(40-21)31-23(33)17-7-11-19(12-8-17)39-20-13-9-18(10-14-20)24(34)32-28-30-16(4)22(41-28)26(36)38-6-2/h7-14H,5-6H2,1-4H3,(H,29,31,33)(H,30,32,34)

InChI Key

YJUVOTJOAWOSFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04407399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.67

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.009

Distribution Coefficient, logD

5.537

Water Solubility, LogSw

-5.49

Polar Surface Area

115.923

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3329-2635 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3329-2635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-2635?
Check Price and Availability of 3329-2635, 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 3329-2635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-2635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-2635
  • 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 3329-2635 available by request