1038-3570 Screening compound: methyl 2-(adamantan-1-yl)-2-[(4-methylphenyl)formamido]acetate

1038-3570 Screening compound: methyl 2-(adamantan-1-yl)-2-[(4-methylphenyl)formamido]acetate
1038-3570 Screening compound: methyl 2-(adamantan-1-yl)-2-[(4-methylphenyl)formamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1038-3570
methyl 2-(adamantan-1-yl)-2-[(4-methylphenyl)formamido]acetate

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

1038-3570

Molecular Formula

C21H27NO3 (C21 H27 NO3)

Compound Name

methyl 2-(adamantan-1-yl)-2-[(4-methylphenyl)formamido]acetate

IUPAC name

methyl 2-(adamantan-1-yl)-2-[(4-methylphenyl)formamido]acetate

SMILES

Cc(cc1)ccc1C(NC(C1(CC(C2)C3)CC3CC2C1)C(OC)=O)=O

InChI

InChI=1S/C21H27NO3/c1-13-3-5-17(6-4-13)19(23)22-18(20(24)25-2)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16,18H,7-12H2,1-2H3,(H,22,23)/t14?,15?,16?,18-,21?/m1/s1

InChI Key

HYDKQMQUYFELJY-DIKOGFFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.132

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.23

Polar Surface Area

45.211

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with 1038-3570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1038-3570?
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What is the minimum amount of 1038-3570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1038-3570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1038-3570
  • 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 1038-3570 available by request