Y501-1802 Screening compound: methyl 4,5-dimethyl-2-{[2-({2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}amino)-2-oxoacetyl]amino}-3-thiophenecarboxylate

Y501-1802 Screening compound: methyl 4,5-dimethyl-2-{[2-({2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}amino)-2-oxoacetyl]amino}-3-thiophenecarboxylate
Y501-1802 Screening compound: methyl 4,5-dimethyl-2-{[2-({2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}amino)-2-oxoacetyl]amino}-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-1802
methyl 4,5-dimethyl-2-{[2-({2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}amino)-2-oxoacetyl]amino}-3-thiophenecarboxylate

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

Y501-1802

Molecular Formula

C19H23F3N4O4S (C19 H23 F3 N4 O4 S)

Compound Name

methyl 4,5-dimethyl-2-{[2-({2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}amino)-2-oxoacetyl]amino}-3-thiophenecarboxylate

IUPAC name

methyl 45-dimethyl-2-[({2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}carbamoyl)formamido]thiophene-3-carboxylate

SMILES

CC(CNC(C(Nc1c(C(OC)=O)c(C)c(C)s1)=O)=O)Cn1nc(C(F)(F)F)cc1C

InChI

InChI=1S/C19H23F3N4O4S/c1-9(8-26-10(2)6-13(25-26)19(20,21)22)7-23-15(27)16(28)24-17-14(18(29)30-5)11(3)12(4)31-17/h6,9H,7-8H2,1-5H3,(H,23,27)(H,24,28)/t9-/m0/s1

InChI Key

XKMGOQMMDUPVGK-VIFPVBQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

-4.154

Water Solubility, LogSw

-3.19

Polar Surface Area

83.183

Acid Dissociation Constant (pKa)

3.32

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

References: we are preparing a list of scientific research reports with Y501-1802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-1802?
Check Price and Availability of Y501-1802, 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 Y501-1802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-1802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-1802
  • 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 Y501-1802 available by request