Y043-3352 Screening compound: methyl 2-[3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamido]-4-methyl-1,3-thiazole-5-carboxylate

Y043-3352 Screening compound: methyl 2-[3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamido]-4-methyl-1,3-thiazole-5-carboxylate
Y043-3352 Screening compound: methyl 2-[3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamido]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-3352
methyl 2-[3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamido]-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

Y043-3352

Molecular Formula

C18H18N4O5S (C18 H18 N4 O5 S)

Compound Name

methyl 2-[3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamido]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

methyl 2-{3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]propanamido}-4-methyl-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OC)=O)sc(NC(CC[C@H](C(Nc2c3cccc2)=O)NC3=O)=O)n1

InChI

InChI=1S/C18H18N4O5S/c1-9-14(17(26)27-2)28-18(19-9)22-13(23)8-7-12-16(25)20-11-6-4-3-5-10(11)15(24)21-12/h3-6,12H,7-8H2,1-2H3,(H,20,25)(H,21,24)(H,19,22,23)/t12-/m1/s1

InChI Key

OISCZZKTXFMKIV-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.077

Distribution Coefficient, logD

2.001

Water Solubility, LogSw

-2.92

Polar Surface Area

105.897

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with Y043-3352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-3352?
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What is the minimum amount of Y043-3352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-3352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-3352
  • 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 Y043-3352 available by request